SCHEMBL4703152

SCHEMBL4703152

Cc1csc(N2CCC(NC(=O)C#Cc3ccc(F)cc3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
CCNE1 P24864 4/20 0.40
CDK2 P24941 4/20 0.40
FAAH O00519 1/20 0.40
MAPK1 P28482 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GPR6 P46095 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL973612 0.94 SMPD3 (0.41) SMN1; SMN2NPC1RAB9AL3MBTL1HRH3
SCHEMBL4701214 0.92 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHRH3CCNE1
SCHEMBL4703857 0.90 DRD2 (0.49) SMN1; SMN2NPC1RAB9AHRH3FAAH
SCHEMBL4701765 0.89 EPHX2 (0.40) HRH3DRD2HTR2AHTR2CHTR2B
SCHEMBL4699430 0.88 HRH3 (0.38) SMN1; SMN2NPC1RAB9AL3MBTL1HRH3
SCHEMBL4701134 0.88 GRM5 (0.41) HRH3CCNE1CDK2FAAHDRD2
SCHEMBL4700286 0.88 NAAA (0.48) SMN1; SMN2NPC1RAB9AHRH3CCNE1
SCHEMBL4703016 0.86 FAAH (0.41) SMN1; SMN2NPC1RAB9AL3MBTL1HRH3
SCHEMBL974804 0.86 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AHRH3MAPT
SCHEMBL4698213 0.84 DRD2 (0.40) SMN1; SMN2NPC1RAB9AHRH3CCNE1

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 SMN1; SMN2 4547/4885NPC1 617/4885RAB9A 3457/4885

“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.