SCHEMBL3726486

SCHEMBL3726486

O=C(N1CCS(O)(O)CC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(C3CC3)no2)C1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.69
CNR1 P21554 1/20 0.69
TMEM97 Q5BJF2 1/20 0.69
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM5 P41594 1/20 0.37
HSD11B1 P28845 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
LIPE Q05469 1/20 0.35

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
SCHEMBL3722786 0.93 F2R (0.67) F2RCNR1TMEM97GRM5HSD11B1
SCHEMBL3757408 0.93 F2R (0.79) F2RCNR1TMEM97LMNAKMT2A
SCHEMBL641292 0.89 F2R (0.63) F2RCNR1TMEM97LMNAKMT2A
SCHEMBL3723257 0.89 F2R (0.87) F2RCNR1TMEM97KMT2AGRM5
SCHEMBL3723929 0.89 F2R (0.66) F2RCNR1TMEM97GRM5HSD11B1
SCHEMBL3759652 0.88 F2R (0.62) F2RCNR1TMEM97LMNAKMT2A
SCHEMBL642264 0.88 F2R (0.61) F2RCNR1TMEM97LMNAKMT2A
SCHEMBL641647 0.87 F2R (0.60) F2RCNR1TMEM97LMNAKMT2A
SCHEMBL3761456 0.86 F2R (0.61) F2RCNR1TMEM97LMNAKMT2A
SCHEMBL641908 0.86 F2R (0.61) F2RCNR1TMEM97LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252948-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-26 US disclosed
US-8440657-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US disclosed
US-8202862-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-19 US disclosed
US-20120135985-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-31 US disclosed
WO-2010136138-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
US-20100305111-A1 SUBSTITUTED PIPERIDINES Bayer Schering Pharma (DE) 2010-12-02 US 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 (3 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-20100305111-A1 SUBSTITUTED PIPERIDINES VHL, PIR, PTGIS F2R 1245/4885CNR1 538/4885TMEM97 1046/4885
US-20120135985-A1 Substituted piperidines VHL, PIR, PTGIS F2R 1245/4885CNR1 538/4885TMEM97 1046/4885
US-20130252948-A1 Substituted piperidines VHL, PIR, PTGIS F2R 1245/4885CNR1 538/4885TMEM97 1046/4885

“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.