SCHEMBL12779396

SCHEMBL12779396

Cn1c(=O)ccc2c(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)cccc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ABL1 P00519 1/20 0.52
TRPV1 Q8NER1 12/20 0.51
CHRM4 P08173 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45

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 0.84 TRPV1 (0.57) TRPV1
SCHEMBL12844947 0.82 TRPV1 (0.47) ALDH1A1KMT2AMAPTTP53KDM4E
SCHEMBL12779456 0.80 MEN1 (0.51) MEN1ALDH1A1KMT2ALMNATP53
SCHEMBL12779461 0.80 TRPV1 (0.55) MEN1ALDH1A1KMT2ALMNATP53
SCHEMBL2072168 0.79 MEN1 (0.59) MEN1ALDH1A1KMT2AMAPTLMNA
SCHEMBL2071726 0.76 TRPV1 (0.53) TRPV1
SCHEMBL4370370 0.75 MEN1 (0.58) MEN1ALDH1A1KMT2AMAPTLMNA
SCHEMBL25111352 0.73 LMNA (0.71) MEN1ALDH1A1KMT2AMAPTLMNA
SCHEMBL12779264 0.73 NPC1 (0.56) ALDH1A1KMT2AMAPTLMNATP53
SCHEMBL16769729 0.72 KDM4E (0.76) MEN1ALDH1A1KMT2AMAPTLMNA

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 MEN1 4455/4885ALDH1A1 1905/4885KMT2A 2950/4885

“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.