SCHEMBL642901

SCHEMBL642901

O=C(N1CCC(O)CC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(Cc3ccccc3)no2)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.56
CNR1 P21554 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
HTT P42858 1/20 0.40
DGAT1 O75907 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
EPHX2 P34913 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
GRM5 P41594 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL641307 0.93 F2R (0.47) F2RCNR1TMEM97HTTDGAT1
SCHEMBL640747 0.91 F2R (0.53) F2RCNR1TMEM97HTTDGAT1
SCHEMBL642018 0.91 F2R (0.57) F2RCNR1TMEM97HTTKMT2A
SCHEMBL10234299 0.85 F2R (0.61) F2RCNR1TMEM97GRM5
SCHEMBL12720155 0.85 F2R (0.56) F2RCNR1TMEM97CHRM2CHRM5
SCHEMBL2970424 0.85 F2R (0.51) F2RCNR1TMEM97HTTEPHX2
SCHEMBL1581047 0.84 F2R (0.51) F2RCNR1TMEM97HTTTRPV1
SCHEMBL642220 0.84 F2R (0.49) F2RCNR1TMEM97HTTEPHX2
SCHEMBL641292 0.83 F2R (0.63) F2RCNR1TMEM97EPHX2KCNH2
SCHEMBL10234315 0.83 F2R (0.56) F2RCNR1TMEM97EPHX2KCNH2

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 12 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
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
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 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
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 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 (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.