SCHEMBL4698213

SCHEMBL4698213

Cc1cccc(C#CC(=O)NC2CCN(c3nc(C)cs3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
GRM5 P41594 4/20 0.39
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
DNM1L O00429 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
USP2 O75604 1/20 0.37
DRD4 P21917 1/20 0.36

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
SCHEMBL973019 0.94 BTK (0.38) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4701134 0.90 GRM5 (0.41) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4703857 0.90 DRD2 (0.49) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4705139 0.89 GRM5 (0.43) GRM5SMN1; SMN2NPC1RAB9A
SCHEMBL4703399 0.88 PCSK9 (0.44) GRM5SMN1; SMN2USP2
SCHEMBL4701214 0.88 SMN1; SMN2 (0.44) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL974369 0.85 CCR4 (0.36) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL973224 0.85 GRM5 (0.40) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL973380 0.85 RAB9A (0.41) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4699430 0.85 HRH3 (0.38) DRD2HTR2AHTR2CHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318774-B2 N-(3-((thiazol-2-yl)amino)propyl)-3-phenylpropiolamide, 4-(thiazol-2-yl-amino)-1-(3-phenyl-propiolyl)piperidine, for example; for preventing or treating a disorder or disease that is mediated at least in part by mGluR26 receptors, such as pain, migraines, depression, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-11-27 US claimed
US-20080269295-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2008-10-30 US claimed
EP-1968958-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP claimed
WO-2007079961-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO claimed
US-8318774-B2 N-(3-((thiazol-2-yl)amino)propyl)-3-phenylpropiolamide, 4-(thiazol-2-yl-amino)-1-(3-phenyl-propiolyl)piperidine, for example; for preventing or treating a disorder or disease that is mediated at least in part by mGluR26 receptors, such as pain, migraines, depression, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-11-27 US disclosed
US-20080269295-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2008-10-30 US disclosed
EP-1968958-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079961-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-20080269295-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, ABCB1, FDPS DRD2 2067/4885HTR2A 1473/4885HTR2C 1324/4885

“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.