SCHEMBL662957

SCHEMBL662957

O=C(NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)NC2CCC(O)CC2)C1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.76
NPSR1 Q6W5P4 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.42
SCN1A P35498 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
TACR1 P25103 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR2 P41597 1/20 0.41

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
SCHEMBL10242081 0.87 F2R (0.71) F2RNPSR1DRD2DRD4MEN1
SCHEMBL661933 0.86 F2R (1.00) F2RDRD2DRD4SCN1ASCN5A
SCHEMBL662583 0.86 F2R (0.85) F2RDRD2DRD4SCN1ASCN5A
SCHEMBL486079 0.84 F2R (0.69) F2RCHRM1MEN1KMT2ACCR2
SCHEMBL10242108 0.83 F2R (0.91) F2RDRD2DRD4SCN1ASCN5A
SCHEMBL664273 0.83 F2R (0.66) F2RDRD2DRD4CHRM2CHRM5
SCHEMBL661832 0.82 F2R (0.64) F2R
SCHEMBL486350 0.81 F2R (0.63) F2RCHRM2CHRM5CHRM1CHRM3
SCHEMBL486313 0.80 F2R (1.00) F2RDRD2DRD4SCN1ASCN5A
SCHEMBL10239963 0.80 F2R (1.00) F2RDRD2DRD4SCN1ASCN5A

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 8 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
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
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 1243/4885NPSR1 556/4885DRD2 588/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 F2R 1/4885NPSR1 404/4885DRD2 403/4885

“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.