SCHEMBL1095992

SCHEMBL1095992

C[C@H](c1cccc2ccccc12)N(CC1CCN(C(=O)Nc2ccc(C(=O)O)cc2Cl)CC1c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.36
EPHX2 P34913 1/20 0.36
CCR5 P51681 3/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
SPTLC2 O15270 5/20 0.34
CYP2D6 P10635 2/20 0.34
P2RY12 Q9H244 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCNK O75909 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
CDK12 Q9NYV4 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
SCHEMBL1097420 0.95 UBE2M (0.41) CASRCCR5UBE2MDCUN1D1SPTLC2
SCHEMBL1097659 0.89 UBE2M (0.38) CCR5UBE2MDCUN1D1P2RY12
SCHEMBL1096487 0.89 CASR (0.40) CASRCCR5CYP2D6SMN1; SMN2
SCHEMBL1096075 0.88 CASR (0.34) CASRUBE2MDCUN1D1P2RY12SMN1; SMN2
SCHEMBL1096451 0.86 CASR (0.36) CASRCCR5SPTLC2CYP2D6CCNK
SCHEMBL1095781 0.86 CCR5 (0.39) CASRCCR5CYP2D6
SCHEMBL4095981 0.85 CCR5 (0.37) CASRCCR5CYP2D6
SCHEMBL1096960 0.85 CASR (0.41) CASRCCR5CYP2D6
SCHEMBL1095286 0.83 NPY2R (0.42) SMN1; SMN2
SCHEMBL1096628 0.82 CASR (0.39) CASRCCR5CYP2D6

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 1/4885EPHX2 2521/4885CCR5 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.