SCHEMBL12779458

SCHEMBL12779458

Cc1cc(C(F)(F)F)cc(N2CCC(C(=O)Nc3cccc4c(C)nccc34)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 3/20 0.52
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
USP2 O75604 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 4/20 0.51
TRPV1 Q8NER1 2/20 0.46
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
EPHX2 P34913 2/20 0.44
MALT1 Q9UDY8 1/20 0.42

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
SCHEMBL13865719 0.88 TRPV1 (0.44) KMT2AMEN1KDM4ETRPV1EPHX2
SCHEMBL12779322 0.84 DEGS1 (0.55) KMT2AMEN1KDM4ELMNATSHR
SCHEMBL12845083 0.81 KDM4E (0.54) KMT2AMEN1KDM4ELMNATSHR
SCHEMBL13865730 0.80 EPHX2 (0.46) KMT2AMEN1KDM4EALDH1A1TRPV1
SCHEMBL12779444 0.79 TRPV1 (0.61) L3MBTL1TRPV1TP53MAPTMALT1
SCHEMBL12779307 0.78 RBP4 (0.52) KMT2AMEN1KDM4ELMNATSHR
SCHEMBL12779366 0.78 DEGS1 (0.53) KDM4ELMNATSHRUSP2HSD17B10
SCHEMBL12779338 0.78 POLB (0.47) KDM4ELMNAL3MBTL1USP2HSD17B10
SCHEMBL12779379 0.77 ALDH1A1 (0.48) KDM4ELMNAL3MBTL1USP2HSD17B10
SCHEMBL12779273 0.77 KDM4E (0.50) KMT2AMEN1KDM4ELMNAL3MBTL1

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 KMT2A 2950/4885MEN1 4455/4885KDM4E 1608/4885

“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.