SCHEMBL6320573

SCHEMBL6320573

CN(C)CC(O)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
HIF1A Q16665 2/20 0.54
HTR3A P46098 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
TDP1 Q9NUW8 3/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP2C9 P11712 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HTR1A P08908 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NMUR2 Q9GZQ4 1/20 0.53
ALOX15 P16050 2/20 0.52
APEX1 P27695 1/20 0.52
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 2/20 0.49
OPRM1 P35372 2/20 0.49
SLC6A3 Q01959 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25101015 1.00 TAAR1 (0.54) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL6320570 0.83 TAAR1 (0.50) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL16327150 0.83 AOC3 (0.48) TAAR1ALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL1205131 0.81 AOC3 (0.72) TAAR1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL6281264 0.81 AOC3 (0.72) ALDH1A1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL1239178 0.81 AOC3 (0.47) TAAR1HIF1ANFKB1HTR1ATHPO
SCHEMBL529255 0.81 AOC3 (0.52) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL12238827 0.80 TAAR1 (0.47) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL29633156 0.80 TAAR1 (0.47) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL804251 0.80 AOC3 (0.70) TAAR1TDP1KDM4ESMN1; SMN2SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 50 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924283-B2 4-thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carbothioamides as antiviral agents PFIZER (US) 2005-08-02 US claimed
US-6861438-B2 Antiviral agents PFIZER (US) 2005-03-01 US claimed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US claimed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US claimed
US-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 US claimed
EP-1421088-A1 4-THIOXO-4,7-DIHYDRO-THIENO 2,3-B]PYRIDINE-5-CARBOTHIOAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-05-26 EP claimed
EP-1421089-A1 4-THIOXO-4,7-DIHYDRO-THIENO 2,3-b]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS Pharmacia & Upjohn Company (US) 2004-05-26 EP claimed
US-6620810-B2 Treating a herpesvirus infection, atherosclerosis or restenosis PHARMACIA & UPJOHN COMPANY 2003-09-16 US claimed
US-20030109542-A1 4-thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-06-12 US claimed
US-20030100536-A1 4-Thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carbothioamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-05-29 US claimed
WO-2003020730-A1 4-THIOXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOTHIOAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-13 WO claimed
WO-2003020729-A1 4-THIOXO-4,7-DIHYDRO-THIENO[2,3-b]PYRIDINE-5-CARBOXAMIDES AS ANT IVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-13 WO claimed
WO-2003020728-A1 4-THIOXO-4,7-DIHYDRO-THIENO[2,3-b]PYRIDINE-5-CARBOTHIOAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-13 WO claimed
JP-2002539130-A 2002-11-19 JP claimed
EP-1159279-B1 4-OXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2002-10-16 EP claimed
US-20020006937-A1 4-OXO-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-01-17 US claimed
EP-1159279-A2 4-OXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-05 EP claimed
US-6239142-B1 HERPES VIRUS INFECTION PHARMACIA & UPJOHN COMPANY 2001-05-29 US claimed
WO-2000053610-A2 4-OXO-4,7-DIHYDRO-THIENO[2,3-b]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-09-14 WO claimed
US-20210087593-A1 N-ALKYLATION OF ALKALOID COMPOUNDS WILLOW BIOSCIENCES INC (CA) 2021-03-25 US disclosed
US-20210087593-A1 N-ALKYLATION OF ALKALOID COMPOUNDS WILLOW BIOSCIENCES INC (CA) 2021-03-25 US disclosed
US-10676767-B2 Methods and compositions for making ephedrine and related alkaloid compounds Willow Biosciences Inc. (CA) 2020-06-09 US disclosed
US-20180179561-A1 Methods and Compositions For Making Ephedrine and Related Alkaloid Compounds Willow Biosciences Inc. (CA) 2018-06-28 US disclosed
EP-3314001-A1 METHODS AND COMPOSITIONS FOR MAKING EPHEDRINE AND RELATED ALKALOID COMPOUNDS Serturner Corp. (CA) 2018-05-02 EP disclosed
WO-2016205939-A1 METHODS AND COMPOSITIONS FOR MAKING EPHEDRINE AND RELATED ALKALOID COMPOUNDS SERTURNER CORP. (CA) 2016-12-29 WO disclosed
US-7858796-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-12-28 US disclosed
US-7858796-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-12-28 US disclosed
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
US-6924283-B2 4-thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carbothioamides as antiviral agents PFIZER (US) 2005-08-02 US disclosed
US-6861438-B2 Antiviral agents PFIZER (US) 2005-03-01 US disclosed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
US-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 US disclosed
US-20040102473-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W (US) 2004-05-27 US disclosed
EP-1421089-A1 4-THIOXO-4,7-DIHYDRO-THIENO 2,3-b]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS Pharmacia & Upjohn Company (US) 2004-05-26 EP disclosed
EP-1421088-A1 4-THIOXO-4,7-DIHYDRO-THIENO 2,3-B]PYRIDINE-5-CARBOTHIOAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-05-26 EP disclosed
US-6620810-B2 Treating a herpesvirus infection, atherosclerosis or restenosis PHARMACIA & UPJOHN COMPANY 2003-09-16 US disclosed
US-20030109542-A1 4-thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-06-12 US disclosed
US-20030100536-A1 4-Thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carbothioamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-05-29 US disclosed
WO-2003020730-A1 4-THIOXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOTHIOAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-13 WO disclosed
WO-2003020728-A1 4-THIOXO-4,7-DIHYDRO-THIENO[2,3-b]PYRIDINE-5-CARBOTHIOAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-13 WO disclosed
WO-2003020729-A1 4-THIOXO-4,7-DIHYDRO-THIENO[2,3-b]PYRIDINE-5-CARBOXAMIDES AS ANT IVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-13 WO disclosed
US-6495683-B2 HERPES VIRUS PHARMACIA AND UPJOHN COMPANY 2002-12-17 US disclosed
EP-1159279-B1 4-OXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2002-10-16 EP disclosed
US-20020006937-A1 4-OXO-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-01-17 US disclosed
EP-1159279-A2 4-OXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-05 EP disclosed
US-6239142-B1 HERPES VIRUS INFECTION PHARMACIA & UPJOHN COMPANY 2001-05-29 US disclosed
WO-2000053610-A2 4-OXO-4,7-DIHYDRO-THIENO[2,3-b]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-09-14 WO disclosed
US-5994507-A CONTACTING AQUEOUS LIQUID CONTAINING ALBUMIN WITH A COMPOUND CONTAINING THE SCAFFOLD--C(=O)-NH-C(=C-)-C(=O)- AND HAVING BEEN PRE-CHECKED TO BIND TO THE ALBUMIN; FOR REMOVAL OF ALBUMIN FROM A SOLUTION OR FOR PURIFICATION OF ALBUMIN AMERSHAM PHARMACIA BIOTECH AB (SE) 1999-11-30 US disclosed
US-5994507-A CONTACTING AQUEOUS LIQUID CONTAINING ALBUMIN WITH A COMPOUND CONTAINING THE SCAFFOLD--C(=O)-NH-C(=C-)-C(=O)- AND HAVING BEEN PRE-CHECKED TO BIND TO THE ALBUMIN; FOR REMOVAL OF ALBUMIN FROM A SOLUTION OR FOR PURIFICATION OF ALBUMIN AMERSHAM PHARMACIA BIOTECH AB (SE) 1999-11-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030100536-A1 4-Thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carbothioamides as antiviral agents TPMT, TK1, TYMP TAAR1 692/4885HIF1A 1546/4885HTR3A 4248/4885
US-20040102473-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, TGFB1 TAAR1 703/4885HIF1A 179/4885HTR3A 3669/4885
US-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 TAAR1 3943/4885HIF1A 1264/4885HTR3A 3657/4885
US-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 TAAR1 3903/4885HIF1A 1529/4885HTR3A 3667/4885
US-20020006937-A1 4-OXO-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents IRF3, IL4, ZC3HAV1 TAAR1 3738/4885HIF1A 1101/4885HTR3A 3839/4885
US-10676767-B2 Methods and compositions for making ephedrine and related alkaloid compounds PNMT, GNMT, BHMT TAAR1 559/4885HIF1A 2498/4885HTR3A 152/4885
US-20070254873-A1 Chemical Compounds IKBKG, NFKBIA, RELA TAAR1 2652/4885HIF1A 1871/4885HTR3A 2740/4885
US-20030109542-A1 4-thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents IRF3, IRAK4, IFNAR1 TAAR1 1124/4885HIF1A 826/4885HTR3A 4151/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.