SCHEMBL1055822

SCHEMBL1055822

CCOc1noc(C2CC(c3ccc(OC(F)F)cc3)CN(C(=O)N3CCS(=O)(=O)CC3)C2)n1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 0.60
CNR1 P21554 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
TRPA1 O75762 3/20 0.36
KMT2A Q03164 2/20 0.36
FAAH O00519 1/20 0.33
GRM5 P41594 4/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 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
SCHEMBL1055231 0.89 F2R (0.75) F2RCNR1TMEM97TRPA1KMT2A
SCHEMBL1054200 0.88 F2R (0.46) F2RCNR1TMEM97TRPA1KMT2A
SCHEMBL1050092 0.88 F2R (0.60) F2RCNR1TMEM97KMT2AHTT
SCHEMBL1055397 0.88 F2R (0.60) F2RCNR1TMEM97KMT2AFAAH
SCHEMBL1054651 0.87 F2R (0.59) F2RCNR1TMEM97KMT2AFAAH
SCHEMBL1051879 0.86 F2R (0.59) F2RCNR1TMEM97KMT2AFAAH
SCHEMBL3761496 0.85 F2R (0.79) F2RCNR1TMEM97TRPA1KMT2A
SCHEMBL3766204 0.84 F2R (0.58) F2RCNR1TMEM97TRPA1KMT2A
SCHEMBL1052109 0.84 F2R (0.54) F2RCNR1TMEM97KMT2AFAAH
SCHEMBL1055232 0.84 F2R (0.66) F2RCNR1TMEM97TRPA1KMT2A

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 9 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

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.