SCHEMBL3765684

SCHEMBL3765684

O=C(N1CCSCC1)N1CC(c2ccc(CC(F)(F)F)cc2)CC(c2nc(C3CC3)no2)C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 0.60
CNR1 P21554 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
GRM5 P41594 5/20 0.36
HSD11B1 P28845 1/20 0.35
MGLL Q99685 1/20 0.35
POLB P06746 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 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
SCHEMBL3768307 0.89 F2R (0.76) F2RCNR1TMEM97GRM5HSD11B1
SCHEMBL3723929 0.89 F2R (0.66) F2RCNR1TMEM97GRM5HSD11B1
SCHEMBL3759652 0.88 F2R (0.62) F2RCNR1TMEM97GRM5HSD11B1
SCHEMBL3753199 0.88 F2R (0.58) F2RCNR1TMEM97GRM5HSD11B1
SCHEMBL3767454 0.88 F2R (0.58) F2RCNR1TMEM97GRM5HSD11B1
SCHEMBL3761542 0.87 F2R (0.61) F2RCNR1TMEM97GRM5HSD11B1
SCHEMBL3766026 0.86 F2R (0.80) F2RCNR1TMEM97GRM5HSD11B1
SCHEMBL1051471 0.85 F2R (0.46) F2RCNR1TMEM97GRM5MGLL
SCHEMBL3763534 0.83 F2R (0.46) F2RCNR1TMEM97GRM5MGLL
SCHEMBL1053970 0.83 F2R (0.44) F2RCNR1TMEM97GRM5MGLL

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.