SCHEMBL1095449

SCHEMBL1095449

C[C@H](c1cccc2ccccc12)N(CC1CCN(c2cccc(C(=O)O)n2)CC1c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
CASR P41180 12/20 0.36
CCR5 P51681 4/20 0.36
PDE10A Q9Y233 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
SCHEMBL1095686 0.92 CCR5 (0.34) TTRCASRCCR5PDE10A
SCHEMBL1097108 0.87 PTGER1 (0.38) CASRCCR5
SCHEMBL1095869 0.86 CASR (0.37) CASRCCR5
SCHEMBL1095501 0.85 CASR (0.43) CASR
SCHEMBL1096063 0.84 CASR (0.39) CASRCCR5
SCHEMBL1095567 0.84 CASR (0.36) CASRCCR5PDE10A
SCHEMBL1096415 0.84 P2RY12 (0.37) CASRPDE10A
SCHEMBL1097153 0.83 CASR (0.34) CASRCCR5
SCHEMBL1094911 0.83 HRH3 (0.38) CASRCCR5
SCHEMBL1096960 0.82 CASR (0.41) CASRCCR5

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 TTR 4339/4885CASR 1/4885CCR5 542/4885

“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.