SCHEMBL12779461

SCHEMBL12779461

Cn1c(=O)ccc2c(NC(=O)C3CCN(c4nccc(C(F)(F)F)n4)CC3)cccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.55
KDM4E B2RXH2 3/20 0.49
USP2 O75604 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.48
CHRM4 P08173 1/20 0.47
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL12779476 0.87 TRPV1 (0.57) TRPV1
SCHEMBL12845083 0.82 KDM4E (0.54) KDM4EUSP2HSD17B10MEN1LMNA
SCHEMBL12779396 0.80 MEN1 (0.58) TRPV1KDM4EMEN1LMNAKMT2A
SCHEMBL12845123 0.79 CHRM4 (0.56) TRPV1KDM4EUSP2HSD17B10MEN1
SCHEMBL12844947 0.75 TRPV1 (0.47) TRPV1KDM4EUSP2KMT2AL3MBTL1
SCHEMBL2071726 0.75 TRPV1 (0.53) TRPV1
SCHEMBL4032171 0.75 USP2 (0.49) TRPV1KDM4EUSP2HSD17B10MEN1
SCHEMBL13485751 0.75 CHRM4 (0.59) KDM4EUSP2HSD17B10MEN1LMNA
SCHEMBL12779456 0.74 MEN1 (0.51) TRPV1KDM4EUSP2MEN1LMNA
SCHEMBL12779264 0.74 NPC1 (0.56) TRPV1USP2HSD17B10LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators GLAXO GROUP LIMITED (GB) 2011-03-10 US disclosed
US-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators GLAXO GROUP LIMITED (GB) 2011-03-10 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 (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-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators TRPV1, CNR1, OPRM1 TRPV1 1/4885KDM4E 1608/4885USP2 4339/4885

“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.