SCHEMBL1096008

SCHEMBL1096008

COC(=O)c1ccc(OC(=O)N2CCC(c3ccc(F)cc3)C(CN(C(=O)OC(C)(C)C)[C@H](C)c3cccc4ccccc34)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.36
TACR1 P25103 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CASR P41180 2/20 0.33
CCR5 P51681 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
USP30 Q70CQ3 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
RORC P51449 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
SCHEMBL1095299 0.94 CCR5 (0.38) TACR1KMT2AMEN1CASRCCR5
SCHEMBL1096703 0.89 CCR5 (0.39) TACR1KMT2AMEN1CASRCCR5
SCHEMBL4106183 0.89 CCR5 (0.38) TACR1KMT2AMEN1CCR5RORC
SCHEMBL1096965 0.89 CASR (0.39) TACR1CASRCCR5USP30
SCHEMBL1096793 0.87 CCR5 (0.37) TACR1CASRCCR5USP30GPR119
SCHEMBL1096972 0.86 CCR5 (0.40) TACR1CASRCCR5USP30TNKS
SCHEMBL1096581 0.84 CASR (0.37) CASRUSP30GPR119
SCHEMBL1096420 0.83 CCR5 (0.36) TACR1CASRCCR5ESR1ESR2
SCHEMBL1096628 0.83 CASR (0.39) TACR1CASRCCR5USP30
SCHEMBL1095395 0.83 CASR (0.39) KMT2AMEN1CASR

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 7 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-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
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 TACR3 865/4885TACR1 99/4885KMT2A 2134/4885

“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.