SCHEMBL1097153

SCHEMBL1097153

COC(=O)c1cc(Cl)nc(N2CCC(CN(C(=O)OC(C)(C)C)[C@H](C)c3cccc4ccccc34)C(c3ccccc3)C2)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.34
CCR5 P51681 2/20 0.34
ACACB O00763 5/20 0.33
ACACA Q13085 5/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL1095869 0.94 CASR (0.37) CASRCCR5ACACBACACAALOX5
SCHEMBL1096312 0.87 CASR (0.36) CASRCCR5
SCHEMBL1096777 0.84 DGAT2 (0.35) CASRCCR5ACACB
SCHEMBL1095449 0.83 TTR (0.40) CASRCCR5
SCHEMBL1095814 0.83 CCR5 (0.42) CASRCCR5
SCHEMBL1096874 0.83 CCR5 (0.40) CCR5
SCHEMBL1094911 0.82 HRH3 (0.38) CASRCCR5
SCHEMBL4108076 0.82 CCR5 (0.34) CASRCCR5
SCHEMBL1096415 0.82 P2RY12 (0.37) CASR
SCHEMBL1095501 0.82 CASR (0.43) CASR

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 CASR 1/4885CCR5 542/4885ACACB 4469/4885

“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.