SCHEMBL9894243

SCHEMBL9894243

COC(=O)C1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCS(O)(O)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.54
CNR1 P21554 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
PROKR1 Q8TCW9 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MCHR1 Q99705 1/20 0.37
LIPE Q05469 1/20 0.37

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
SCHEMBL3795897 0.92 F2R (0.64) F2RCNR1TMEM97PROKR1KDM4E
SCHEMBL9894509 0.88 F2R (0.56) F2RCNR1TMEM97PROKR1GAA
SCHEMBL1052100 0.86 F2R (0.52) F2RPROKR1KDM4EALDH1A1POLB
SCHEMBL641606 0.86 F2R (0.63) F2R
SCHEMBL641532 0.86 F2R (0.67) F2RPROKR1KDM4EALDH1A1POLB
SCHEMBL640599 0.86 F2R (0.55) F2RPROKR1KDM4EALDH1A1POLB
SCHEMBL641085 0.85 F2R (0.49) F2RPROKR1KDM4EALDH1A1POLB
SCHEMBL641841 0.84 F2R (0.48) F2RPROKR1KDM4EALDH1A1POLB
SCHEMBL640711 0.84 F2R (0.69) F2RPROKR1KDM4EALDH1A1POLB
SCHEMBL1056470 0.84 F2R (0.39) F2RCNR1TMEM97ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149694-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-14 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 (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-20120149694-A1 Substituted piperidines VHL, PIR, PIGO F2R 1339/4885CNR1 460/4885TMEM97 903/4885

“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.