SCHEMBL1096777

SCHEMBL1096777

COC(=O)c1cnc(N2CCC(CN(C(=O)OC(C)(C)C)[C@H](C)c3cccc4ccccc34)C(c3ccccc3)C2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 2/20 0.35
CASR P41180 7/20 0.34
CCR5 P51681 2/20 0.34
ACACB O00763 2/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
MAPT P10636 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
SCHEMBL1095567 0.94 CASR (0.36) DGAT2CASRCCR5ACACBEIF2AK4
SCHEMBL1096312 0.90 CASR (0.36) CASRCCR5
SCHEMBL1096415 0.86 P2RY12 (0.37) CASRMAPT
SCHEMBL1095805 0.86 P2RY12 (0.47)
SCHEMBL1096063 0.85 CASR (0.39) CASRCCR5
SCHEMBL4108076 0.85 CCR5 (0.34) CASRCCR5
SCHEMBL1096442 0.84 CASR (0.36) CASRCCR5
SCHEMBL1097153 0.84 CASR (0.34) CASRCCR5ACACB
SCHEMBL1098233 0.83 CASR (0.41) CASR
SCHEMBL1095814 0.82 CCR5 (0.42) 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 DGAT2 3960/4885CASR 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.