SCHEMBL12779264

SCHEMBL12779264

Cn1c(=O)ccc2c(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)cccc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 8/20 0.51
TP53 P04637 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.45
STAT3 P40763 1/20 0.45
KMT2A Q03164 1/20 0.44
TRPV1 Q8NER1 3/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL12779401 0.81 NPC1 (0.61) NPC1RAB9AALDH1A1L3MBTL1MAPT
SCHEMBL12779411 0.80 NPC1 (0.60) NPC1RAB9AALDH1A1L3MBTL1MAPT
SCHEMBL12844947 0.77 TRPV1 (0.47) ALDH1A1L3MBTL1MAPTTP53KMT2A
SCHEMBL2071726 0.76 TRPV1 (0.53) TRPV1
SCHEMBL12779476 0.76 TRPV1 (0.57) TRPV1
SCHEMBL12779456 0.75 MEN1 (0.51) ALDH1A1L3MBTL1TP53SMN1; SMN2LMNA
SCHEMBL12779461 0.74 TRPV1 (0.55) ALDH1A1L3MBTL1TP53SMN1; SMN2LMNA
SCHEMBL12779396 0.73 MEN1 (0.58) ALDH1A1L3MBTL1MAPTTP53SMN1; SMN2
SCHEMBL2072963 0.71 RAB9A (0.71) NPC1RAB9AALDH1A1L3MBTL1MAPT
SCHEMBL4701619 0.70 NPC1 (0.70) NPC1RAB9AALDH1A1L3MBTL1MAPT

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 NPC1 623/4885RAB9A 2168/4885ALDH1A1 1905/4885

“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.