SCHEMBL1055593

SCHEMBL1055593

O=C(O)C1CC(c2ccc(OC(F)F)cc2)CN(C(=O)N2CCS(O)(O)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.40
CNR1 P21554 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
ALDH1A1 P00352 5/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
MDM2 Q00987 1/20 0.33
LMNA P02545 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL1055592 0.92 F2R (0.47) F2RCNR1TMEM97ALDH1A1HTT
SCHEMBL1056470 0.90 F2R (0.39) F2RCNR1TMEM97ALDH1A1HTT
SCHEMBL10278941 0.87 ALDH1A1 (0.38) F2RALDH1A1HTTKMT2ATSHR
SCHEMBL1056811 0.84 ALDH1A1 (0.35) F2RCNR1TMEM97ALDH1A1HTT
SCHEMBL10278734 0.84 F2R (0.43) F2RCNR1TMEM97ALDH1A1HTT
SCHEMBL9894509 0.82 F2R (0.56) F2RCNR1TMEM97KMT2ATSHR
SCHEMBL1056320 0.82 F2R (0.46) F2RCNR1TMEM97ALDH1A1HTT
SCHEMBL3761497 0.78 F2R (0.68) F2RCNR1TMEM97KMT2A
SCHEMBL10278542 0.76 LMNA (0.39) F2RALDH1A1HTTKMT2ATSHR
SCHEMBL3766213 0.76 F2R (0.51) F2RCNR1TMEM97ALDH1A1HTT

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 10 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-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
CN-102596944-A Substituted piperidines BAYER SCHERING PHARMA AG 2012-07-18 CN 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
CN-102482270-A Substituted piperidines BAYER SCHERING PHARMA AG 2012-05-30 CN disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 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 (5 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-20110021489-A1 SUBSTITUTED PIPERIDINES VHL, PIR, PIGO F2R 1339/4885CNR1 460/4885TMEM97 903/4885
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-20120220563-A1 Substituted piperidines VHL, PIR, PIGO F2R 1339/4885CNR1 460/4885TMEM97 903/4885
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.