SCHEMBL662393

SCHEMBL662393

O=C(NC1CC(c2ccc(OC(F)(F)F)cc2)CN(C(=O)N2CCN(C(=O)O)CC2)C1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 16/20 0.79
CNR1 P21554 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
LIPE Q05469 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL661930 0.93 F2R (0.77) F2RCNR1TMEM97HRH3
SCHEMBL661444 0.91 F2R (0.82) F2RCNR1TMEM97LIPEHRH3
SCHEMBL662954 0.91 F2R (0.80) F2RCNR1TMEM97
SCHEMBL16587859 0.89 F2R (0.75) F2R
SCHEMBL17135695 0.89 F2R (0.67) F2RCNR1TMEM97LIPEHRH3
SCHEMBL662297 0.88 F2R (1.00) F2RCNR1TMEM97
SCHEMBL485795 0.83 F2R (1.00) F2RLIPE
SCHEMBL663402 0.81 F2R (0.69) F2RLIPEHRH3
SCHEMBL661897 0.81 F2R (0.68) F2RLIPENAMPT
SCHEMBL662577 0.81 F2R (0.68) F2RLIPENAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120046268-A1 Substituted piperidines as Par-1 Antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-23 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 (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 1243/4885CNR1 444/4885TMEM97 1002/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 F2R 1/4885CNR1 116/4885TMEM97 2737/4885

“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.