SCHEMBL485810

SCHEMBL485810

CC(C)c1cccc(C2CNCC(NC(=O)c3ccccc3)C2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.59
DRD4 P21917 1/20 0.42
F2 P00734 1/20 0.42
GRM5 P41594 1/20 0.40
KAT6A Q92794 1/20 0.39
BRD4 O60885 2/20 0.39
TP53BP1 Q12888 1/20 0.38
KDM5A P29375 2/20 0.38
EZH2 Q15910 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL485823 0.81 F2R (0.58) F2RGRM5EZH2HPGD
SCHEMBL27982262 0.80 F2R (0.42) F2RGRM5EZH2HPGD
SCHEMBL485716 0.80 MEN1 (0.51) F2R
SCHEMBL486000 0.77 HPGD (0.42) F2RGRM5EZH2HPGD
SCHEMBL25094188 0.75 CHRNB2 (0.49) F2ROCK2HPGD
SCHEMBL486028 0.74 F2R (0.56) F2R
SCHEMBL661950 0.74 F2R (1.00) F2RKDM5A
SCHEMBL21775966 0.74 CBLB (0.48) DRD4TP53BP1ROCK2ROCK1
SCHEMBL486001 0.72 SMN1; SMN2 (0.50) HPGD
SCHEMBL20804092 0.72 LMNA (0.50) HPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411363-B1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER IP GMBH (DE) 2015-10-07 EP disclosed
EP-2411363-B1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER IP GMBH (DE) 2015-10-07 EP disclosed
US-20150183773-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-02 US disclosed
US-20150183773-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-02 US disclosed
US-8987248-B2 Substituted piperidines as Par-1 antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987248-B2 Substituted piperidines as Par-1 antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
CN-102438985-B Substituted piperidines as par-1 antagonists BAYER SCHERING PHARMA AG 2014-09-17 CN disclosed
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-23 US disclosed
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-23 US disclosed
EP-2411363-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS Bayer Pharma AG (DE) 2012-02-01 EP disclosed
WO-2010108608-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 WO disclosed
WO-2010108608-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 WO 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 (2 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-20150183773-A1 Substituted piperidines VHL, PIR, PIGO F2R 1243/4885DRD4 722/4885F2 1959/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 F2R 1/4885DRD4 1141/4885F2 484/4885

“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.