SCHEMBL3762077

SCHEMBL3762077

COCCc1noc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCSCC3)C2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.58
CNR1 P21554 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
SCD5 Q86SK9 1/20 0.36
TRPA1 O75762 2/20 0.35
DPP4 P27487 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
GRM5 P41594 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL3760811 0.93 F2R (0.56) F2RCNR1TMEM97SCD5TRPA1
SCHEMBL3766856 0.92 F2R (0.59) F2RCNR1TMEM97SCD5TRPA1
SCHEMBL3766848 0.91 F2R (0.47) F2RCNR1TMEM97LMNAHTT
SCHEMBL639706 0.91 F2R (0.59) F2RCNR1TMEM97SCD5TRPA1
SCHEMBL3765610 0.91 F2R (0.53) F2RCNR1TMEM97SCD5TRPA1
SCHEMBL1581524 0.90 F2R (0.60) F2RCNR1TMEM97SCD5TRPA1
SCHEMBL642240 0.90 F2R (0.57) F2RCNR1TMEM97SCD5TRPA1
SCHEMBL1056447 0.90 F2R (0.57) F2RCNR1TMEM97SCD5TRPA1
SCHEMBL641138 0.90 F2R (0.59) F2RCNR1TMEM97SCD5TRPA1
SCHEMBL3760775 0.90 F2R (0.64) F2RCNR1TMEM97SCD5TRPA1

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 14 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
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.