SCHEMBL641203

SCHEMBL641203

COCCNC(=O)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(CCOC)no2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
F2R P25116 7/20 0.39
CNR1 P21554 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
TRPV1 Q8NER1 2/20 0.37
FASN P49327 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
NAMPT P43490 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL641871 0.90 F2R (0.41) HDAC4HDAC6F2RCNR1TMEM97
SCHEMBL642407 0.88 F2R (0.50) HDAC4HDAC6F2RCNR1TMEM97
SCHEMBL640987 0.87 CHRM4 (0.44) HDAC4HDAC6F2RCNR1TMEM97
SCHEMBL10234373 0.86 F2R (0.46) F2RCNR1TMEM97TRPV1FASN
SCHEMBL2960516 0.85 F2R (0.45) F2RCNR1TMEM97TRPV1FASN
SCHEMBL1581047 0.83 F2R (0.51) F2RCNR1TMEM97TRPV1FASN
SCHEMBL3766848 0.83 F2R (0.47) F2RCNR1TMEM97FASN
SCHEMBL640920 0.83 GRM5 (0.49) HDAC4HDAC6
SCHEMBL3760747 0.83 F2R (0.60) F2RCNR1TMEM97FASNCHRM2
SCHEMBL3760750 0.83 F2R (0.52) F2RCNR1TMEM97FASNCHRM2

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-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
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 HDAC4 1118/4885HDAC6 927/4885F2R 698/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 HDAC4 1118/4885HDAC6 927/4885F2R 698/4885

“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.