SCHEMBL293794

SCHEMBL293794

[CH]1CNc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
AHR P35869 1/20 0.35
PDK2 Q15119 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
THRB P10828 1/20 0.35
HK1 P19367 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
HKDC1 Q2TB90 1/20 0.35

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
SCHEMBL448757 0.79 ALOX15 (0.43) ALOX15HSD17B10GAANPSR1NPC1
SCHEMBL21126434 0.76 ALOX15 (0.41) ALOX15HSD17B10GAANPSR1NPC1
SCHEMBL8345056 0.74 MAPT (0.44) ALOX15HSD17B10GAANPSR1NPC1
SCHEMBL587237 0.71 CHRNB2 (0.39) GAAMAPT
SCHEMBL4818995 0.70 ESR2 (0.45)
SCHEMBL30668800 0.69
SCHEMBL2041999 0.69
SCHEMBL1828551 0.69
Ammonia Solution, Strong SCHEMBL7208186 0.67
SCHEMBL24727248 0.67 ALOX15 (0.41) ALOX15HSD17B10GAANPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853418-B2 Cyclopentylpyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US claimed
US-20140051660-A1 CYCLOPENTYLPYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-02-20 US claimed
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US claimed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US claimed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US claimed
EP-1539739-B1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2010-11-24 EP claimed
JP-4554364-B2 2010-09-29 JP claimed
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP claimed
US-20090221562-A1 NOVEL OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2009-09-03 US claimed
US-7538110-B2 e.g. 1-(8-(3-hydroxyphenyl)-7,8-dimethyl-hexahydro-1H-pyrido[1,2- alpha ]pyrazin-2(6H)-yl)-2-phenylethanone; analgesics; gastrointestinal dysfunction, post-surgical recovery; side effect reduction ADOLOR CORPORATION (US) 2009-05-26 US claimed
US-7001899-B2 Interleukin converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-02-21 US claimed
EP-1539739-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-15 EP claimed
US-6884802-B2 6-heteroarylphenanthridines ALTANA PHARMA AG (DE) 2005-04-26 US claimed
WO-2004020435-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-11 WO claimed
US-20040038979-A1 Treating airway disorders such as asthma. ALTANA PHARMA AG (DE) 2004-02-26 US claimed
US-6696438-B2 AMYLOID PRECURSOR PROTEIN ANTAGONISTS, 3-((N'-(3-PYRIDINOYL)-L -ALANINYL)-AMINO-3-METHYL-4,5,6,7-TETRAHYDRO-2H-3-BENZAZEPIN-2-ONE, USED FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2004-02-24 US claimed
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2004-01-22 US claimed
US-20040009966-A1 7-member ring N-heterocycles that have a cysteine trap substitution; treating osteoarthritis THE PROCTER & GAMBLE COMPANY 2004-01-15 US claimed
US-20030236296-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2003-12-25 US claimed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP claimed

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-20090221562-A1 NOVEL OPIOID ANTAGONISTS OPRK1, OPRM1, OPRL1 ALOX15 1599/4885HSD17B10 3123/4885GAA 3219/4885
US-20140051660-A1 CYCLOPENTYLPYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1A, CACNA1B, CACNA1E ALOX15 1258/4885HSD17B10 3779/4885GAA 2598/4885
US-20040009966-A1 7-member ring N-heterocycles that have a cysteine trap substitution; treating osteoarthritis TST, SYVN1, TXN2 ALOX15 3746/4885HSD17B10 3140/4885GAA 4850/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 ALOX15 1027/4885HSD17B10 3564/4885GAA 4177/4885
US-20040038979-A1 Treating airway disorders such as asthma. PTGER4, PDE4B, PDE4A ALOX15 735/4885HSD17B10 1564/4885GAA 4138/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 ALOX15 889/4885HSD17B10 3544/4885GAA 4072/4885
US-20030236296-A1 Novel interleukin-1beta converting enzyme inhibitors IL1R1, IL1B, IL1RN ALOX15 780/4885HSD17B10 519/4885GAA 3935/4885
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors IL1B, IL1RN, IL1R1 ALOX15 1627/4885HSD17B10 423/4885GAA 2986/4885

“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.