SCHEMBL3753186

SCHEMBL3753186

CCc1ccc(C2CC(c3nc(C4CC4)no3)CN(C(=O)N3CC[S+]([O-])CC3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.56
CNR1 P21554 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
HSD11B1 P28845 1/20 0.38
GRM5 P41594 5/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
STAT1 P42224 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
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
SCHEMBL3767454 0.89 F2R (0.58) F2RCNR1TMEM97HSD11B1GRM5
SCHEMBL1581046 0.88 F2R (0.59) F2RCNR1TMEM97HSD11B1GRM5
SCHEMBL3753199 0.87 F2R (0.58) F2RCNR1TMEM97HSD11B1GRM5
SCHEMBL1580965 0.87 F2R (0.56) F2RCNR1TMEM97HSD11B1GRM5
SCHEMBL3766112 0.86 F2R (0.64) F2RCNR1TMEM97HSD11B1GRM5
SCHEMBL3766109 0.86 F2R (0.74) F2RCNR1TMEM97HSD11B1GRM5
SCHEMBL3760981 0.86 F2R (0.59) F2RCNR1TMEM97HSD11B1GRM5
SCHEMBL1052990 0.86 F2R (0.45) F2RCNR1TMEM97GRM5
SCHEMBL10234553 0.86 F2R (0.56) F2RCNR1TMEM97HSD11B1GRM5
SCHEMBL3761456 0.86 F2R (0.61) F2RCNR1TMEM97HSD11B1GRM5

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.