SCHEMBL1096517

SCHEMBL1096517

COc1cccc([C@@H](C)NCC2CCN(c3ncc(C(=O)O)cc3Cl)CC2c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.43
P2RY12 Q9H244 2/20 0.42
ROCK2 O75116 8/20 0.40
PRKG1 Q13976 7/20 0.40
CXCR3 P49682 3/20 0.40
KIT P10721 2/20 0.39
CASR P41180 1/20 0.39
CCR5 P51681 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
Hydrochloric Acid SCHEMBL1096096 0.99 ACACB (0.42) ACACBP2RY12ROCK2PRKG1CXCR3
SCHEMBL1106001 0.83 CASR (0.46) P2RY12CASR
Hydrochloric Acid SCHEMBL1096868 0.83 CASR (0.46) P2RY12CASR
SCHEMBL1105999 0.82 TTR (0.42) ACACBROCK2PRKG1CASRCCR5
SCHEMBL1106027 0.82 PRKG1 (0.41) ROCK2PRKG1KITCASRCCR5
SCHEMBL1096458 0.82 CXCR3 (0.37) ACACBP2RY12CXCR3CCR5
SCHEMBL1105813 0.80 CXCR3 (0.38) ACACBP2RY12CXCR3
SCHEMBL1105831 0.79 ROCK2 (0.40) ROCK2PRKG1CASRCCR5ROCK1
SCHEMBL1105821 0.78 CASR (0.42) P2RY12CASR
SCHEMBL1105980 0.75 ROCK2 (0.45) ROCK2PRKG1CASRCCR5

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 10 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 claimed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US claimed
EP-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 EP claimed
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
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 ACACB 4469/4885P2RY12 495/4885ROCK2 4415/4885

“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.