SCHEMBL4699430

SCHEMBL4699430

Cc1csc(N2CCC(NC(=O)C#Cc3ccc(C)c(F)c3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
GPR6 P46095 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
DNM1L O00429 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
MAPT P10636 1/20 0.34
FAAH O00519 2/20 0.34
DPP4 P27487 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL971914 0.94 BTK (0.38) HRH3GPR6
SCHEMBL4703152 0.88 SMN1; SMN2 (0.43) HRH3GPR6NPC1RAB9ASMN1; SMN2
SCHEMBL4701134 0.87 GRM5 (0.41) HRH3DRD2HTR2AHTR2CHTR2B
SCHEMBL4701214 0.86 SMN1; SMN2 (0.44) HRH3NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL973375 0.86 BTK (0.36)
SCHEMBL4698213 0.85 DRD2 (0.40) HRH3NPC1RAB9ASMN1; SMN2DRD2
SCHEMBL4703857 0.84 DRD2 (0.49) HRH3NPC1RAB9ASMN1; SMN2DRD2
SCHEMBL4701765 0.84 EPHX2 (0.40) HRH3DRD2HTR2AHTR2CHTR2B
SCHEMBL4703016 0.83 FAAH (0.41) HRH3GPR6NPC1RAB9ASMN1; SMN2
SCHEMBL973612 0.83 SMPD3 (0.41) HRH3GPR6NPC1RAB9ASMN1; SMN2

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 6 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
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 HRH3 3883/4885GPR6 2151/4885NPC1 617/4885

“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.