SCHEMBL975606

SCHEMBL975606

COc1cccc(C#CC(=O)NC2CCN(c3nc(C)cs3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
GRM5 P41594 2/20 0.41
MAOB P27338 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
GLS O94925 4/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 2/20 0.38
SMPD3 Q9NY59 2/20 0.38

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
SCHEMBL4705139 0.95 GRM5 (0.43) MTNR1AMTNR1BGRM5MAOBMAPT
SCHEMBL971187 0.91 MTNR1A (0.42) MTNR1AMTNR1BGRM5MAOBCCNC
SCHEMBL971879 0.89 NAAA (0.46) CCNCCDK8GLSMAPTALDH1A1
SCHEMBL973019 0.89 BTK (0.38) GRM5CCNCCDK8SMPD3
SCHEMBL973969 0.88 MTNR1A (0.44) MTNR1AMTNR1BGRM5MAOBCCNC
SCHEMBL973224 0.88 GRM5 (0.40) GRM5SMPD3
SCHEMBL973380 0.88 RAB9A (0.41) GRM5MAPTLMNASMN1; SMN2RAB9A
SCHEMBL973545 0.87 BTK (0.45) GRM5GLSSMPD3
SCHEMBL974382 0.85 GRM5 (0.42) GRM5CDK8ALDH1A1HSD17B10LMNA
SCHEMBL973492 0.84 MTNR1A (0.44) MTNR1AMTNR1BGRM5MAOBCCNC

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US claimed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO claimed
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO 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 (1 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-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 MTNR1A 230/4885MTNR1B 170/4885GRM5 1623/4885

“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.