SCHEMBL1097659

SCHEMBL1097659

COC(=O)c1ccc(NC(=O)N2CCC(CN(C(=O)OC(C)(C)C)[C@H](C)c3cccc4ccccc34)C(c3cccc(F)c3)C2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
CCR5 P51681 9/20 0.35
P2RY12 Q9H244 1/20 0.33
PDK1 Q15118 2/20 0.32
PDK2 Q15119 2/20 0.32
PDK3 Q15120 2/20 0.32
PDK4 Q16654 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BLM P54132 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR119 Q8TDV5 1/20 0.31

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 0.94 UBE2M (0.41) UBE2MDCUN1D1CCR5P2RY12PDK1
SCHEMBL1095992 0.89 CASR (0.36) UBE2MDCUN1D1CCR5P2RY12
SCHEMBL1095505 0.87 UBE2M (0.38) UBE2MDCUN1D1P2RY12PDK1PDK2
SCHEMBL1096420 0.85 CCR5 (0.36) CCR5ESR1ESR2GPR119
SCHEMBL1105750 0.84 CCR5 (0.40) CCR5ESR1ESR2GPR119
SCHEMBL1095349 0.84 CCR5 (0.35) UBE2MDCUN1D1CCR5ESR1ESR2
SCHEMBL1096776 0.82 CCR5 (0.39) CCR5ESR1ESR2GPR119
SCHEMBL1095287 0.82 ESR1 (0.37) UBE2MDCUN1D1CCR5ESR1ESR2
SCHEMBL1096874 0.82 CCR5 (0.40) CCR5
SCHEMBL1096075 0.81 CASR (0.34) UBE2MDCUN1D1P2RY12GPR119

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 UBE2M 4660/4885DCUN1D1 2737/4885CCR5 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.