SCHEMBL972416

SCHEMBL972416

CN(c1nccs1)C1CCN(C(=O)C#Cc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
GRM5 P41594 7/20 0.39
VNN1 O95497 1/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NR3C1 P04150 1/20 0.38
USP30 Q70CQ3 1/20 0.37
RBP4 P02753 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
SCN8A Q9UQD0 1/20 0.35
GAA P10253 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
SCHEMBL4701151 0.95 AR (0.43) ARTRPM8GRM5VNN1DRD2
SCHEMBL973942 0.94 TRPM8 (0.43) ARTRPM8GRM5DRD2HTR2A
SCHEMBL8234366 0.83 VNN1 (0.50) VNN1
SCHEMBL973236 0.81 GRM5 (0.39) GRM5SCN8A
SCHEMBL2858949 0.80 TRPM8 (0.39) ARTRPM8GRM5DRD2HTR2A
SCHEMBL8242255 0.78 L3MBTL3 (0.50) VNN1RBP4GAA
SCHEMBL2852667 0.78 SIGMAR1 (0.44) TRPM8GRM5DRD2HTR2AHTR2C
SCHEMBL973961 0.76 GRIN2B (0.42) ARGRM5SCN8AGAA
SCHEMBL4701149 0.75 GRIN2B (0.41) TRPM8GRM5DRD2HTR2AHTR2C
SCHEMBL975924 0.74 TRPM8 (0.39) TRPM8GRM5SIGMAR1USP30SCN8A

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 8 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 disclosed
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
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 AR 2023/4885TRPM8 365/4885GRM5 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.