SCHEMBL4701477

SCHEMBL4701477

Cc1csc(N2CCC(NC(=O)C#Cc3ccccc3F)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
FAAH O00519 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL971760 0.94 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AFAAHHRH3
SCHEMBL4704099 0.90 HRH3 (0.40) SMN1; SMN2NPC1RAB9AFAAHHRH3
SCHEMBL4703016 0.89 FAAH (0.41) SMN1; SMN2NPC1RAB9AFAAHHRH3
SCHEMBL4703465 0.87 HRH3 (0.42) SMN1; SMN2RAB9AHRH3GRM5ALDH1A1
SCHEMBL4703857 0.86 DRD2 (0.49) SMN1; SMN2NPC1RAB9AFAAHHRH3
SCHEMBL972810 0.84 ACKR3 (0.38) HRH3GRM5ALDH1A1
SCHEMBL973921 0.84 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AFAAHGRM5
SCHEMBL4703152 0.84 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AFAAHHRH3
SCHEMBL975080 0.83 SMPD3 (0.39) SMN1; SMN2NPC1RAB9AFAAHHRH3
SCHEMBL4701134 0.83 GRM5 (0.41) FAAHHRH3GRM5CCNE1CDK2

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.