Bay-386

Bay-386

SCHEMBL3765675

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 1.00
CNR1 P21554 1/20 1.00
TMEM97 Q5BJF2 1/20 1.00
FAAH O00519 2/20 0.43
TRPA1 O75762 2/20 0.38
GRM5 P41594 3/20 0.35
HSD11B1 P28845 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SCD5 Q86SK9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ENPP2 Q13822 1/20 0.34

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
SCHEMBL3723257 0.93 F2R (0.87) F2RCNR1TMEM97FAAHTRPA1
SCHEMBL642182 0.90 F2R (0.81) F2RCNR1TMEM97TRPA1GRM5
SCHEMBL643316 0.90 F2R (0.81) F2RCNR1TMEM97TRPA1GRM5
SCHEMBL3766026 0.89 F2R (0.80) F2RCNR1TMEM97TRPA1GRM5
SCHEMBL3757408 0.89 F2R (0.79) F2RCNR1TMEM97GRM5HSD11B1
SCHEMBL3803759 0.88 F2R (0.79) F2RCNR1TMEM97FAAHTRPA1
SCHEMBL3761496 0.88 F2R (0.79) F2RCNR1TMEM97FAAHTRPA1
SCHEMBL641715 0.88 F2R (0.79) F2RCNR1TMEM97TRPA1GRM5
SCHEMBL641543 0.87 F2R (0.77) F2RCNR1TMEM97FAAHTRPA1
SCHEMBL3760964 0.87 F2R (0.77) 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 16 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 claimed
US-8440657-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US claimed
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
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.