SCHEMBL1096138

SCHEMBL1096138

COc1cccc([C@@H](C)N(CC2CCNCC2c2ccccc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.42
HSD17B2 P37059 1/20 0.39
FFAR1 O14842 7/20 0.39
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GHSR Q92847 1/20 0.36
REN P00797 1/20 0.36
HTR2C P28335 1/20 0.35
USP7 Q93009 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
SCHEMBL4080649 0.89 TRPM8 (0.46) TRPM8HSD17B2FFAR1MAPTPKM
SCHEMBL1095799 0.82 MAPT (0.38) MAPTPKMSLC6A2SLC6A4SLC6A3
SCHEMBL1105934 0.81 CCR5 (0.41) TRPM8HSD17B2FFAR1
SCHEMBL1105754 0.78 ALOX5 (0.41) HSD17B2MAPTPKMSLC6A2SLC6A4
SCHEMBL1097046 0.76 CCR5 (0.37) SLC6A2SLC6A4SLC6A3REN
SCHEMBL4578555 0.76 USP30 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL1096141 0.76 TRPM8 (0.43) TRPM8HSD17B2FFAR1MAPTPKM
SCHEMBL1096458 0.75 CXCR3 (0.37) TRPM8HSD17B2FFAR1MAPT
SCHEMBL1096262 0.75 REN (0.37) MAPTPKMSLC6A2SLC6A4SLC6A3
SCHEMBL16274994 0.73 REN (0.40) REN

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-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 TRPM8 145/4885HSD17B2 1097/4885FFAR1 67/4885

“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.