SCHEMBL1096141

SCHEMBL1096141

COc1cccc([C@@H](C)N(C(=O)O)C(C2CCNCC2c2ccccc2)C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.43
HSD17B2 P37059 1/20 0.39
HTR2C P28335 2/20 0.38
FFAR1 O14842 5/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
REN P00797 1/20 0.36

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
SCHEMBL1095801 0.79 SSTR4 (0.39) MAPTPKM
SCHEMBL4080649 0.78 TRPM8 (0.46) TRPM8HSD17B2HTR2CFFAR1MAPT
SCHEMBL1096138 0.76 TRPM8 (0.42) TRPM8HSD17B2HTR2CFFAR1MAPT
SCHEMBL1096263 0.71 SSTR4 (0.39) MAPTPKM
SCHEMBL16274995 0.69 SSTR4 (0.42)
SCHEMBL5158470 0.67 MAPT (0.43) HSD17B2MAPTPKM
Trifluoroacetic Acid SCHEMBL30149807 0.65 OPRD1 (0.47) HTR2CPOLB
SCHEMBL14382757 0.65 HTR2C (0.55) HTR2CMAPTPKM
SCHEMBL17474525 0.65 HTR2C (0.55) HTR2CMAPTPKMREN
SCHEMBL14256161 0.64 REN (0.60) HTR2CREN

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 2 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-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 1097/4885HTR2C 1025/4885

“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.