SCHEMBL1581065

SCHEMBL1581065

Cc1noc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CC(O)C3)C2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.47
CNR1 P21554 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
HSD11B1 P28845 1/20 0.41
KCNH2 Q12809 1/20 0.39
ENPP2 Q13822 1/20 0.39
EPHX2 P34913 1/20 0.39
LIPE Q05469 1/20 0.39
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PROKR1 Q8TCW9 2/20 0.36

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
SCHEMBL10234315 0.92 F2R (0.56) F2RCNR1TMEM97HSD11B1KCNH2
SCHEMBL10234444 0.89 F2R (0.47) F2RCNR1TMEM97HSD11B1KCNH2
SCHEMBL640623 0.89 F2R (0.59) F2RCNR1TMEM97HSD11B1KCNH2
SCHEMBL10234672 0.88 F2R (0.41) F2RCNR1TMEM97HSD11B1KCNH2
SCHEMBL641142 0.88 F2R (0.45) F2RCNR1TMEM97HSD11B1LIPE
SCHEMBL10234424 0.87 F2R (0.45) F2RCNR1TMEM97EPHX2LIPE
SCHEMBL641195 0.87 F2R (0.62) F2RCNR1TMEM97HSD11B1EPHX2
SCHEMBL642264 0.87 F2R (0.61) F2RCNR1TMEM97HSD11B1KCNH2
SCHEMBL641141 0.87 F2R (0.47) F2RCNR1TMEM97HSD11B1KCNH2
SCHEMBL641459 0.86 F2R (0.58) F2RCNR1TMEM97HSD11B1KCNH2

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 8 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-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 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 (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-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

“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.