SCHEMBL1095299

SCHEMBL1095299

COC(=O)c1ccc(OC(=O)N2CCC(c3ccccc3)C(CN(C(=O)OC(C)(C)C)[C@H](C)c3cccc4ccccc34)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.38
TACR1 P25103 1/20 0.37
USP30 Q70CQ3 2/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CACNA1B Q00975 1/20 0.35
CASR P41180 3/20 0.35
USP7 Q93009 1/20 0.35
NPY2R P49146 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL1096008 0.94 TACR3 (0.36) CCR5TACR1USP30TNKSTNKS2
SCHEMBL1096703 0.94 CCR5 (0.39) CCR5TACR1USP30TNKSTNKS2
SCHEMBL1096965 0.94 CASR (0.39) CCR5TACR1USP30CASRUSP7
SCHEMBL4106183 0.94 CCR5 (0.38) CCR5TACR1MEN1KMT2ACACNA1B
SCHEMBL1096972 0.92 CCR5 (0.40) CCR5TACR1USP30TNKSTNKS2
SCHEMBL1096628 0.88 CASR (0.39) CCR5TACR1USP30CASRUSP7
SCHEMBL1096793 0.88 CCR5 (0.37) CCR5TACR1USP30CASR
SCHEMBL4110498 0.87 CASR (0.37) CCR5TACR1CASRCYP2D6
SCHEMBL4110414 0.86 CCR5 (0.43) CCR5CYP2D6
SCHEMBL1095814 0.86 CCR5 (0.42) CCR5TACR1USP30TNKSTNKS2

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 542/4885TACR1 99/4885USP30 1965/4885

“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.