SCHEMBL1053970

SCHEMBL1053970

COCCOc1noc(C2CC(c3ccc(CC(F)(F)F)cc3)CN(C(=O)N3CCSCC3)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.44
CNR1 P21554 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MGLL Q99685 1/20 0.33
GRM5 P41594 5/20 0.32
USP30 Q70CQ3 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
SCHEMBL1051471 0.91 F2R (0.46) F2RCNR1TMEM97MGLLGRM5
SCHEMBL1054662 0.91 F2R (0.45) F2RCNR1TMEM97GRM5USP30
SCHEMBL1056869 0.90 F2R (0.43) F2RCNR1TMEM97MGLLGRM5
SCHEMBL1054524 0.90 F2R (0.56) F2RCNR1TMEM97MGLLGRM5
SCHEMBL1054526 0.90 F2R (0.49) F2RCNR1TMEM97MGLLGRM5
SCHEMBL1056032 0.89 F2R (0.43) F2RCNR1TMEM97MGLLGRM5
SCHEMBL3763534 0.89 F2R (0.46) F2RCNR1TMEM97MGLLGRM5
SCHEMBL1056447 0.89 F2R (0.57) F2RCNR1TMEM97USP30
SCHEMBL1052991 0.88 F2R (0.39) F2RCNR1TMEM97MGLLUSP30
SCHEMBL3761092 0.83 F2R (0.43) F2RCNR1TMEM97MGLLGRM5

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
US-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO 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 (2 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-20110021489-A1 SUBSTITUTED PIPERIDINES VHL, PIR, PIGO F2R 1339/4885CNR1 460/4885TMEM97 903/4885
US-20120220563-A1 Substituted piperidines VHL, PIR, PIGO F2R 1339/4885CNR1 460/4885TMEM97 903/4885

“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.