SCHEMBL1095034

SCHEMBL1095034

COC(=O)c1ccc2nc(N3CCC(CN(C(=O)OC(C)(C)C)[C@H](C)c4cccc5ccccc45)C(c4cccc(F)c4)C3)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.37
NPY5R Q15761 1/20 0.36
BACE1 P56817 3/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TPH1 P17752 1/20 0.34
TPH2 Q8IWU9 1/20 0.34
TP53 P04637 1/20 0.33
KCNH2 Q12809 1/20 0.33
NAMPT P43490 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
SCHEMBL1097010 0.94 CCR5 (0.39) CCR5BACE1BACE2KCNH2
SCHEMBL1096089 0.86 CCR5 (0.36) CCR5LMNA
SCHEMBL1096420 0.82 CCR5 (0.36) CCR5
SCHEMBL1096312 0.82 CASR (0.36) CCR5
SCHEMBL1096777 0.80 DGAT2 (0.35) CCR5
SCHEMBL1097659 0.80 UBE2M (0.38) CCR5
SCHEMBL1105750 0.80 CCR5 (0.40) CCR5KCNH2
SCHEMBL1095900 0.80 CCR5 (0.38) CCR5LMNAKCNH2
SCHEMBL1097021 0.80 CCR5 (0.39) CCR5KCNH2
SCHEMBL1096635 0.79 CCR5 (0.39) CCR5KCNH2

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 CCR5 542/4885NPY5R 2206/4885BACE1 1908/4885

“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.