SCHEMBL11997352

SCHEMBL11997352

CC(C)c1noc(C2CC(c3ccc(OC(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 3/20 0.49
CNR1 P21554 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
EPHX2 P34913 1/20 0.43
GRM5 P41594 5/20 0.39
GPR119 Q8TDV5 1/20 0.37
CHRM4 P08173 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CCR5 P51681 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD11B1 P28845 2/20 0.35
TRPA1 O75762 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
SCHEMBL11997340 0.90 F2R (0.50) F2RCNR1TMEM97EPHX2GRM5
SCHEMBL640807 0.89 F2R (0.62) F2RCNR1TMEM97EPHX2GRM5
SCHEMBL10278573 0.88 F2R (0.63) F2RCNR1TMEM97GRM5HCRTR1
SCHEMBL641289 0.86 F2R (0.59) F2RCNR1TMEM97EPHX2GRM5
SCHEMBL10234332 0.86 F2R (0.54) F2RCNR1TMEM97EPHX2GRM5
SCHEMBL640908 0.83 F2R (0.59) F2RCNR1TMEM97EPHX2GRM5
SCHEMBL642179 0.83 EPHX2 (0.45) F2RCNR1TMEM97EPHX2GRM5
SCHEMBL10278640 0.82 F2R (0.45) F2RCNR1TMEM97GRM5ALDH1A1
SCHEMBL10278683 0.81 GRM5 (0.52) GRM5
SCHEMBL1581166 0.81 F2R (0.62) F2RCNR1TMEM97EPHX2GRM5

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-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 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 (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-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885CNR1 454/4885TMEM97 1110/4885

“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.