SCHEMBL973969

SCHEMBL973969

COc1cccc(C#CC(=O)NC2CCN(c3nc(C)c(C)s3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MAOB P27338 1/20 0.43
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
GLS O94925 9/20 0.41
CHRM4 P08173 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
SMPD3 Q9NY59 1/20 0.38
MAPT P10636 2/20 0.38
GRM5 P41594 1/20 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
SCHEMBL973973 0.89 NAAA (0.46) MTNR1AMTNR1BCCNCCDK8GLS
SCHEMBL972939 0.89 BTK (0.38) CCNCCDK8GLSPPARDPPARA
SCHEMBL975606 0.88 MTNR1A (0.44) MTNR1AMTNR1BMAOBCCNCCDK8
SCHEMBL973419 0.88 PPARA (0.39) CCNCCDK8PPARDPPARAMAPT
SCHEMBL973992 0.87 BTK (0.45) CCNCCDK8GLSPPARDPPARA
SCHEMBL973492 0.86 MTNR1A (0.44) MTNR1AMTNR1BMAOBCCNCCDK8
SCHEMBL973618 0.85 PCSK9 (0.43) CDK8SMPD3GRM5
SCHEMBL972442 0.84 CA12 (0.39) SMPD3
SCHEMBL971187 0.84 MTNR1A (0.42) MTNR1AMTNR1BMAOBCCNCCDK8
SCHEMBL974290 0.83 BTK (0.38) PPARDPPARASMPD3

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 7 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

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 170/4885MAOB 2024/4885

“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.