SCHEMBL1856868

SCHEMBL1856868

COC(=O)c1ccc(N2CCN(C(=O)N3CCC(c4cn[nH]c4)C3)c3ccccc32)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.81
ROCK2 O75116 2/20 0.45
GRIN2B Q13224 1/20 0.36

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
SCHEMBL1860418 0.90 HSD11B1 (0.85) HSD11B1ROCK2
SCHEMBL1858468 0.89 HSD11B1 (1.00) HSD11B1ROCK2
SCHEMBL3940394 0.89 HSD11B1 (0.82) HSD11B1ROCK2
SCHEMBL1856402 0.88 HSD11B1 (1.00) HSD11B1ROCK2
SCHEMBL1860266 0.87 HSD11B1 (0.77) HSD11B1ROCK2
SCHEMBL1860747 0.87 HSD11B1 (0.75) HSD11B1ROCK2
SCHEMBL1862304 0.87 HSD11B1 (0.66) HSD11B1ROCK2
SCHEMBL1860793 0.86 HSD11B1 (0.79) HSD11B1ROCK2
SCHEMBL1860744 0.86 HSD11B1 (0.79) HSD11B1ROCK2
SCHEMBL3932779 0.85 HSD11B1 (0.77) HSD11B1ROCK2

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-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

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 1/4885ROCK2 3507/4885GRIN2B 1010/4885

“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.