SCHEMBL973942

SCHEMBL973942

CN(c1nccs1)C1CCCN(C(=O)C#Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.43
AR P10275 1/20 0.39
GRM5 P41594 4/20 0.38
NR3C1 P04150 1/20 0.37
PROKR1 Q8TCW9 1/20 0.36
KMT2A Q03164 1/20 0.36
PRMT5 O14744 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
JAK3 P52333 2/20 0.35
JAK1 P23458 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
USP30 Q70CQ3 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 0.94 AR (0.40) TRPM8ARGRM5NR3C1DRD2
SCHEMBL4701151 0.89 AR (0.43) TRPM8ARGRM5NR3C1DRD2
SCHEMBL2858949 0.83 TRPM8 (0.39) TRPM8ARGRM5NR3C1DRD2
SCHEMBL973236 0.79 GRM5 (0.39) GRM5KMT2A
SCHEMBL975924 0.79 TRPM8 (0.39) TRPM8GRM5SIGMAR1USP30
SCHEMBL973550 0.77 GRM5 (0.40) ARGRM5KMT2A
SCHEMBL8234366 0.77 VNN1 (0.50) PROKR1
SCHEMBL2852667 0.74 SIGMAR1 (0.44) TRPM8GRM5DRD2HTR2AHTR2C
SCHEMBL972270 0.74 TRPM8 (0.43) TRPM8GRM5NR3C1DRD2HTR2A
SCHEMBL972892 0.73 DRD2 (0.45) TRPM8DRD2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US claimed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO claimed
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-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-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 TRPM8 365/4885AR 2023/4885GRM5 1623/4885

“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.