SCHEMBL485716

SCHEMBL485716

O=C(NC1CNCC(c2cccc(C(F)(F)F)c2)C1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CCR2 P41597 2/20 0.46
KCNH2 Q12809 1/20 0.46
F2R P25116 5/20 0.46
HDAC8 Q9BY41 1/20 0.45
HTR2C P28335 2/20 0.45
KCNK3 O14649 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
USP5 P45974 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL486028 0.89 F2R (0.56) MEN1KMT2AF2R
SCHEMBL485810 0.80 F2R (0.59) F2R
SCHEMBL485823 0.78 F2R (0.58) KMT2AF2R
SCHEMBL27982262 0.78 F2R (0.42) MEN1KMT2AF2R
SCHEMBL485729 0.78 F2R (0.61) F2R
SCHEMBL13191659 0.76 F2R (0.43) F2RHTR2CCHRNB2CHRNA4
SCHEMBL486000 0.75 HPGD (0.42) MEN1KMT2AF2R
SCHEMBL17729642 0.75 HTR2C (0.70) HTR2CCHRNB2CHRNA4
SCHEMBL8272741 0.74 RPS6KB1 (0.43)
SCHEMBL5294375 0.74 RPS6KB1 (0.43)

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 MEN1 1167/4885KMT2A 3411/4885CCR2 972/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 MEN1 703/4885KMT2A 2409/4885CCR2 219/4885

“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.