SCHEMBL3798403

SCHEMBL3798403

CCOCCc1noc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCC(O)CC3)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.49
CNR1 P21554 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
TRPV1 Q8NER1 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LIPE Q05469 1/20 0.35
GRM5 P41594 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
EPHX2 P34913 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34
FASN P49327 1/20 0.34

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
SCHEMBL1581294 0.94 F2R (0.43) F2RCNR1TMEM97LMNAGAA
SCHEMBL1581047 0.92 F2R (0.51) F2RCNR1TMEM97TRPV1LMNA
SCHEMBL640874 0.92 F2R (0.51) F2RCNR1TMEM97LMNAGAA
SCHEMBL3805488 0.91 F2R (0.58) F2RCNR1TMEM97GRM5CHRM2
SCHEMBL3760972 0.91 F2R (0.44) F2RCNR1TMEM97LMNAGAA
SCHEMBL3753217 0.90 F2R (0.56) F2RCNR1TMEM97LMNAGAA
SCHEMBL3753214 0.90 F2R (0.49) F2RCNR1TMEM97LMNAGAA
SCHEMBL1581144 0.90 F2R (0.48) F2RCNR1TMEM97TRPV1LMNA
SCHEMBL3800163 0.90 F2R (0.44) F2RCNR1TMEM97SMN1; SMN2GRM5
SCHEMBL3760958 0.89 F2R (0.43) F2RCNR1TMEM97LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129831-A1 Substituted 3-(1,2,4-Oxadiazol-5-yl)-5-Phenylpiperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 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-20120129831-A1 Substituted 3-(1,2,4-Oxadiazol-5-yl)-5-Phenylpiperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
WO-2010136127-A1 SUBSTITUTED 3-(1,2,4-OXADIAZOL-5-YL)-5-PHENYLPIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136127-A1 SUBSTITUTED 3-(1,2,4-OXADIAZOL-5-YL)-5-PHENYLPIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 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 (1 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-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.