SCHEMBL1854822

SCHEMBL1854822

COc1ccc2c(c1)CCCN2C(=O)N1CCC(c2cccnc2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.65
HSD17B10 Q99714 1/20 0.51
CYP11B2 P19099 4/20 0.46
CYP11B1 P15538 3/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
SPR P35270 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.43
NOTUM Q6P988 1/20 0.43
KLK7 P49862 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL1856983 0.87 HSD11B1 (0.63) HSD11B1HSD17B10CYP11B2PDK1PDK2
SCHEMBL1856520 0.86 HSD11B1 (0.68) HSD11B1HSD17B10CYP11B2CYP11B1PDK1
SCHEMBL1860075 0.84 HSD11B1 (0.61) HSD11B1SPRALDH1A1LMNATP53
SCHEMBL1855531 0.84 HSD11B1 (0.61) HSD11B1SPRALDH1A1LMNATP53
SCHEMBL3929608 0.82 HSD11B1 (0.54) HSD11B1SPRALDH1A1LMNARAB9A
SCHEMBL1854468 0.79 HSD11B1 (0.80) HSD11B1HSD17B10NOTUM
SCHEMBL1854585 0.77 HSD11B1 (0.60) HSD11B1SPR
SCHEMBL1858987 0.76 HSD11B1 (0.65) HSD11B1HSD17B10SPR
SCHEMBL1856848 0.76 HSD11B1 (0.71) HSD11B1HSD17B10NOTUM
SCHEMBL1856847 0.76 HSD11B1 (0.71) HSD11B1HSD17B10NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947834-B2 Substituted quinoxalines, their preparation and their therapeutical use as 11βHSD1 modulators SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
US-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SANOFI-AVENTIS (FR) 2009-07-09 US disclosed
EP-2044057-A2 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE Sanofi-Aventis (FR) 2009-04-08 EP disclosed
WO-2008000950-A2 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SANOFI-AVENTIS (FR) 2008-01-03 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 (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-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE HSD11B1, HSD3B1, ADH1C HSD11B1 1/4885HSD17B10 65/4885CYP11B2 29/4885

“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.