SCHEMBL1661660

SCHEMBL1661660

NC(CO)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.52
SLC6A2 P23975 11/20 0.49
SLC6A4 P31645 11/20 0.49
SLC6A3 Q01959 11/20 0.49
KCNH2 Q12809 7/20 0.49
CYP2D6 P10635 7/20 0.49
CYP3A4 P08684 4/20 0.49
AOC3 Q16853 2/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
ATM Q13315 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL29463570 1.00 UGT2B7 (0.52) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4335674 1.00 UGT2B7 (0.52) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL5676201 0.98 SLC6A2 (0.50) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL5676972 0.98 SLC6A2 (0.50) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL24527599 0.85 UGT2B7 (0.48) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL11631139 0.82 SLC6A2 (0.54) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6008493 0.80 UGT2B7 (0.52) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7435867 0.80 UGT2B7 (0.52) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7436041 0.80 UGT2B7 (0.52) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL28703571 0.80 SLC6A2 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565190-A4 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-04-26 EP claimed
EP-1565190-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-08-24 EP claimed
WO-2004047738-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO claimed
EP-1958940-B1 CONDENSATION REACTION BY METAL CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2013-06-26 EP disclosed
CN-101391964-B Method for preparing 2-amido-1-alkyl alcohol and catalyst preparation method UNIV TIANJIN 2011-06-01 CN disclosed
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST MASHIMA KAZUSHI 2011-04-28 US disclosed
US-7888513-B2 Condensation reaction by metal catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-15 US disclosed
US-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
US-20090198070-A1 Condensation Reaction by Metal Catalyst OSAKA UNIVERSITY (JP) 2009-08-06 US disclosed
CN-101391964-A Method for preparing 2-amido-1-alkyl alcohol and catalyst preparation method UNIV TIANJIN (CN) 2009-03-25 CN disclosed
CN-100436406-C Process for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL CO (JP) 2008-11-26 CN disclosed
EP-1581510-A2 1-ARYL-2-HYDROXYETHYL AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
EP-1565190-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-08-24 EP disclosed
US-20040122007-A1 1-aryl-2-hydroxyethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 US disclosed
US-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004047738-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed
WO-2004047743-A2 1-ARYL-2-HYDROXYETHYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed
JP-2004051604-A PRODUCTION METHOD OF OPTICALLY ACTIVE 2-AMINO-2-(2-NAPHTHYL)ETHANOLS AND INTERMEDIATE THEREOF SUMITOMO CHEM CO LTD 2004-02-19 JP disclosed
JP-2004051604-A PRODUCTION METHOD OF OPTICALLY ACTIVE 2-AMINO-2-(2-NAPHTHYL)ETHANOLS AND INTERMEDIATE THEREOF SUMITOMO CHEM CO LTD 2004-02-19 JP disclosed
EP-0161801-A2 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1985-11-21 EP 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 (4 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-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST C9, CBR3, C1R UGT2B7 2121/4885SLC6A2 4602/4885SLC6A4 3420/4885
US-20040122007-A1 1-aryl-2-hydroxyethyl amides as potassium channel openers KCNQ3, KCNQ2, KCNQ4 UGT2B7 1020/4885SLC6A2 395/4885SLC6A4 377/4885
US-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders KCNQ2, KCNQ5, KCNJ2 UGT2B7 2444/4885SLC6A2 887/4885SLC6A4 712/4885
US-20090198070-A1 Condensation Reaction by Metal Catalyst C9, CBR3, C1R UGT2B7 2121/4885SLC6A2 4602/4885SLC6A4 3420/4885

“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.