SCHEMBL4701151

SCHEMBL4701151

CN(c1nccs1)C1CCN(C(=O)C#Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
GRM5 P41594 7/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
NR3C1 P04150 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
USP30 Q70CQ3 1/20 0.36
RBP4 P02753 1/20 0.36
GAA P10253 1/20 0.35
VNN1 O95497 1/20 0.35
VCP P55072 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL972416 0.95 AR (0.40) ARGRM5TRPM8DRD2HTR2A
SCHEMBL973942 0.89 TRPM8 (0.43) ARGRM5TRPM8DRD2HTR2A
SCHEMBL2858949 0.81 TRPM8 (0.39) ARGRM5TRPM8DRD2HTR2A
SCHEMBL8242255 0.81 L3MBTL3 (0.50) RBP4GAAVNN1
SCHEMBL8234366 0.79 VNN1 (0.50) VNN1
SCHEMBL4701149 0.78 GRIN2B (0.41) GRM5TRPM8DRD2HTR2AHTR2C
SCHEMBL973236 0.78 GRM5 (0.39) GRM5
SCHEMBL2852667 0.77 SIGMAR1 (0.44) GRM5TRPM8DRD2HTR2AHTR2C
SCHEMBL4700278 0.76 GRM5 (0.45) ARGRM5GAAVCP
SCHEMBL972270 0.74 TRPM8 (0.43) GRM5TRPM8DRD2HTR2AHTR2C

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 12 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-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-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
US-20080269295-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2008-10-30 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 AR 1496/4885GRM5 2196/4885TRPM8 1069/4885

“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.