SCHEMBL3764088

SCHEMBL3764088

O=C(N1CC[S+]([O-])CC1)N1CC(c2ccc(OC(F)F)cc2)CC(c2nc(C3CC3)no2)C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.60
CNR1 P21554 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
TRPA1 O75762 3/20 0.37
GRM5 P41594 5/20 0.35
HSD11B1 P28845 1/20 0.35
DPP4 P27487 1/20 0.33
PREP P48147 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CPT1A P50416 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
POLB P06746 1/20 0.31
CPT2 P23786 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
SCHEMBL10278573 0.89 F2R (0.63) F2RCNR1TMEM97TRPA1GRM5
SCHEMBL3760964 0.88 F2R (0.77) F2RCNR1TMEM97TRPA1GRM5
SCHEMBL3761497 0.87 F2R (0.68) F2RCNR1TMEM97TRPA1GRM5
SCHEMBL3761496 0.87 F2R (0.79) F2RCNR1TMEM97TRPA1GRM5
SCHEMBL1054200 0.85 F2R (0.46) F2RCNR1TMEM97TRPA1GRM5
SCHEMBL3761456 0.85 F2R (0.61) F2RCNR1TMEM97GRM5HSD11B1
SCHEMBL3760981 0.84 F2R (0.59) F2RCNR1TMEM97GRM5HSD11B1
SCHEMBL3753186 0.83 F2R (0.56) F2RCNR1TMEM97GRM5HSD11B1
SCHEMBL3767454 0.83 F2R (0.58) F2RCNR1TMEM97GRM5HSD11B1
SCHEMBL11997340 0.78 F2R (0.50) F2RCNR1TMEM97TRPA1GRM5

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 15 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-8440657-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 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-8202862-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-19 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
US-20120135985-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-31 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
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
US-20100305111-A1 SUBSTITUTED PIPERIDINES Bayer Schering Pharma (DE) 2010-12-02 US 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.