SCHEMBL1105750

SCHEMBL1105750

C[C@H](c1cccc2ccccc12)N(CC1CCN(C(=O)C(F)(F)F)CC1c1cccc(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.40
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
RORC P51449 1/20 0.35
KCNH2 Q12809 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL1096488 0.93 CCR5 (0.39) CCR5ESR1ESR2RORC
SCHEMBL1096776 0.90 CCR5 (0.39) CCR5ESR1ESR2KCNH2GPR119
SCHEMBL1095663 0.89 CCR5 (0.40) CCR5KCNH2
SCHEMBL1105717 0.88 DPP4 (0.35) ESR1ESR2RORCGPR119
SCHEMBL1097652 0.87 CCR5 (0.38) CCR5KCNH2GPR119
SCHEMBL1096420 0.86 CCR5 (0.36) CCR5ESR1ESR2GPR119
SCHEMBL1096057 0.85 CCR5 (0.38) CCR5GPR119
SCHEMBL1095349 0.84 CCR5 (0.35) CCR5ESR1ESR2GPR119
SCHEMBL1097659 0.84 UBE2M (0.38) CCR5ESR1ESR2GPR119
SCHEMBL1096038 0.83 C5AR1 (0.35) ESR1ESR2RORCGPR119

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 4 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-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

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 CCR5 542/4885ESR1 1384/4885ESR2 1866/4885

“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.