SCHEMBL641003

SCHEMBL641003

O=C(O)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2nc(C3CC3)no2)C1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2R P25116 3/20 0.74
CNR1 P21554 1/20 0.74
TMEM97 Q5BJF2 1/20 0.74
TRPA1 O75762 3/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
HSD11B1 P28845 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SCD5 Q86SK9 1/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CPT1A P50416 2/20 0.36
EPHX2 P34913 1/20 0.35
ENPP2 Q13822 1/20 0.35
CPT2 P23786 1/20 0.35

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
SCHEMBL10234698 0.90 F2R (0.77) F2RCNR1TMEM97TRPA1MEN1
SCHEMBL3803759 0.89 F2R (0.79) F2RCNR1TMEM97TRPA1MEN1
SCHEMBL1580874 0.88 F2R (0.69) F2RCNR1TMEM97TRPA1FAAH
SCHEMBL643316 0.87 F2R (0.81) F2RCNR1TMEM97TRPA1MEN1
SCHEMBL642182 0.87 F2R (0.81) F2RCNR1TMEM97TRPA1HSD11B1
SCHEMBL10234700 0.87 F2R (0.75) F2RCNR1TMEM97TRPA1MEN1
SCHEMBL641254 0.87 F2R (0.57) F2RCNR1TMEM97KMT2AHSD11B1
SCHEMBL3766026 0.86 F2R (0.80) F2RCNR1TMEM97TRPA1MEN1
SCHEMBL643755 0.86 F2R (0.77) F2RCNR1TMEM97TRPA1MEN1
SCHEMBL6113980 0.85 F2R (0.66) F2RCNR1TMEM97TRPA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120129831-A1 Substituted 3-(1,2,4-Oxadiazol-5-yl)-5-Phenylpiperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 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 (3 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885CNR1 454/4885TMEM97 1110/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885CNR1 454/4885TMEM97 1110/4885
US-20120129831-A1 Substituted 3-(1,2,4-Oxadiazol-5-yl)-5-Phenylpiperidines VHL, TNNI3, PTGIS F2R 1675/4885CNR1 611/4885TMEM97 1807/4885

“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.