SCHEMBL1252470

SCHEMBL1252470

O=C(O)C1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.66
HSD11B1 P28845 3/20 0.62
RORC P51449 1/20 0.59
EPHX2 P34913 1/20 0.58
GAA P10253 1/20 0.57
NOTUM Q6P988 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP2C19 P33261 1/20 0.56
HRH3 Q9Y5N1 2/20 0.55
DPP4 P27487 1/20 0.55
DPP7 Q9UHL4 1/20 0.55
RBP4 P02753 2/20 0.55
MALT1 Q9UDY8 1/20 0.55
NEK2 P51955 1/20 0.55
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL4546334 0.84 TRPV1 (0.84) TRPV1HSD11B1NOTUMRBP4MALT1
SCHEMBL3216080 0.83 TRPV1 (0.69) TRPV1HSD11B1EPHX2GAAHRH3
SCHEMBL27761289 0.83 HSD11B1 (0.55) TRPV1HSD11B1EPHX2GAAHRH3
SCHEMBL30582915 0.83 EPHX2 (0.68) TRPV1HSD11B1EPHX2GAAHRH3
SCHEMBL3932323 0.82 TRPV1 (0.62) TRPV1HSD11B1EPHX2GAAHRH3
SCHEMBL1253240 0.82 ALDH1A1 (0.59) TRPV1HSD11B1EPHX2GAAKDM4E
SCHEMBL4546335 0.81 TRPV1 (0.63) TRPV1HSD11B1EPHX2KDM4ERBP4
SCHEMBL3095680 0.81 HSD11B1 (0.76) TRPV1HSD11B1EPHX2GAARBP4
SCHEMBL5799674 0.80 NOTUM (0.65) TRPV1RORCNOTUMRBP4CYP3A4
SCHEMBL1349136 0.80 EPHX2 (0.64) TRPV1HSD11B1EPHX2GAAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8168827-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2012-05-01 US disclosed
US-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators GLAXO GROUP LIMITED (GB) 2011-03-10 US disclosed
EP-2281823-A2 Anti-inflammatory and analgesic piperidine derivatives Ajinomoto Co., Inc. (JP) 2011-02-09 EP disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-20090258900-A1 AMIDE DERIVATIVE AJINOMOTO CO. INC (JP) 2009-10-15 US disclosed
US-7572815-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2009-08-11 US disclosed
US-20060128755-A1 Amide derivative AJINOMOTO CO. INC (JP) 2006-06-15 US disclosed
EP-1660481-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-05-31 EP disclosed
EP-1627869-A1 AMIDE DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-02-22 EP disclosed
WO-2005016915-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-02-24 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 (4 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-20060128755-A1 Amide derivative NR0B1, NR0B2, NR1I3 TRPV1 983/4885HSD11B1 117/4885RORC 227/4885
US-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators TRPV1, CNR1, OPRM1 TRPV1 1/4885HSD11B1 4094/4885RORC 1314/4885
US-20090258900-A1 AMIDE DERIVATIVE NR0B1, NR0B2, NR1I3 TRPV1 804/4885HSD11B1 149/4885RORC 215/4885
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 TRPV1 92/4885HSD11B1 3638/4885RORC 1730/4885

“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.