SCHEMBL485758

SCHEMBL485758

CCc1ccc(C2CC(NC(=O)C3CCCC3)CN(C(=O)N3CCC(C#N)CC3)C2)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 15/20 0.74
CYP2D6 P10635 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
EPHX2 P34913 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
SCHEMBL661018 0.85 F2R (1.00) F2RCYP2D6HRH3RAB9AEPHX2
SCHEMBL486320 0.84 F2R (0.72) F2R
SCHEMBL486225 0.82 F2R (0.63) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL486191 0.82 F2R (0.58) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL664272 0.82 F2R (0.82) F2RNPC1RAB9A
SCHEMBL485912 0.81 F2R (0.59) F2RHRH3NPC1MAPTSTAT1
SCHEMBL485829 0.81 F2R (0.81) F2R
SCHEMBL663561 0.80 F2R (1.00) F2RCYP2D6MAPTRAB9ASMN1; SMN2
SCHEMBL640871 0.80 F2R (0.58) F2RNPC1POLB
SCHEMBL1581579 0.78 F2R (0.61) F2RCYP2D6NPC1MAPTSTAT1

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 11 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
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 1243/4885CYP2D6 660/4885HRH3 1584/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 F2R 1/4885CYP2D6 1166/4885HRH3 309/4885

“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.