SCHEMBL1096458

SCHEMBL1096458

COc1cccc([C@@H](C)N(CC2CCN(c3ncc(C(=O)O)cc3Cl)CC2c2ccccc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.37
ACACB O00763 2/20 0.36
P2RY12 Q9H244 3/20 0.36
HSD17B2 P37059 1/20 0.35
CCR5 P51681 1/20 0.35
TRPM8 Q7Z2W7 3/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AOC3 Q16853 1/20 0.34
FFAR1 O14842 3/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 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
SCHEMBL1096097 0.93 P2RY12 (0.46) P2RY12
SCHEMBL1096415 0.86 P2RY12 (0.37) CXCR3P2RY12MAPTCYP2C9CYP2C19
SCHEMBL1096517 0.82 ACACB (0.43) CXCR3ACACBP2RY12CCR5
Hydrochloric Acid SCHEMBL1096096 0.81 ACACB (0.42) CXCR3ACACBP2RY12CCR5
SCHEMBL1095805 0.80 P2RY12 (0.47) P2RY12
SCHEMBL1105934 0.79 CCR5 (0.41) HSD17B2CCR5TRPM8FFAR1
SCHEMBL1097649 0.78 P2RY12 (0.35) CXCR3P2RY12MAPTCYP2C9CYP2C19
SCHEMBL1095567 0.78 CASR (0.36) ACACBCCR5TRPM8
SCHEMBL1096138 0.75 TRPM8 (0.42) HSD17B2TRPM8MAPTFFAR1
SCHEMBL1096777 0.74 DGAT2 (0.35) ACACBCCR5MAPT

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 3 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
EP-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 EP 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 CXCR3 2808/4885ACACB 4469/4885P2RY12 495/4885

“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.