SCHEMBL1097649

SCHEMBL1097649

C[C@H](c1cccc2ccccc12)N(CC1CCN(c2ncc(C(=O)O)cc2Cl)CC1c1ccccc1F)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.35
CASR P41180 5/20 0.34
AOC3 Q16853 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MPL P40238 1/20 0.32
CHRM4 P08173 1/20 0.32
CXCR3 P49682 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL1096132 0.93 P2RY12 (0.45) P2RY12
SCHEMBL1096415 0.91 P2RY12 (0.37) P2RY12CASRAOC3GAAMAPT
SCHEMBL1095567 0.88 CASR (0.36) CASRDPP4DPP7
SCHEMBL1095678 0.86 CASR (0.41) CASR
SCHEMBL1095805 0.85 P2RY12 (0.47) P2RY12
SCHEMBL1096973 0.83 CASR (0.43) P2RY12CASR
Hydrochloric Acid SCHEMBL1097368 0.82 CASR (0.43) CASR
SCHEMBL1096777 0.82 DGAT2 (0.35) CASRDPP4DPP7MAPT
SCHEMBL1097482 0.81 CASR (0.38) CASR
SCHEMBL1096508 0.80 CASR (0.37) CASRMAPT

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 P2RY12 495/4885CASR 1/4885AOC3 2730/4885

“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.