SCHEMBL1856790

SCHEMBL1856790

O=C(N1CCC(c2cccnc2)C1)N1CCOc2ccc(Cl)cc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.57
MAPT P10636 10/20 0.55
TP53 P04637 4/20 0.54
LMNA P02545 3/20 0.54
SPR P35270 1/20 0.52
GAA P10253 1/20 0.50
THRB P10828 2/20 0.46
F10 P00742 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
SCHEMBL3939347 0.89 HSD11B1 (0.55) HSD11B1MAPTTP53LMNASPR
SCHEMBL1858381 0.87 HSD11B1 (0.70) HSD11B1MAPTTP53LMNASPR
SCHEMBL3935898 0.87 MAPT (0.59) HSD11B1MAPTTP53LMNAGAA
SCHEMBL1857708 0.87 HSD11B1 (0.53) HSD11B1MAPTTP53LMNASPR
SCHEMBL3937707 0.87 HSD11B1 (0.54) HSD11B1MAPTTP53SPR
Hydrochloric Acid SCHEMBL1857438 0.86 HSD11B1 (0.69) HSD11B1MAPTTP53LMNASPR
SCHEMBL3929608 0.86 HSD11B1 (0.54) HSD11B1MAPTTP53LMNASPR
Hydrochloric Acid SCHEMBL1856746 0.86 HSD11B1 (0.52) HSD11B1MAPTTP53LMNASPR
SCHEMBL1855963 0.85 HSD11B1 (0.54) HSD11B1MAPTTP53LMNASPR
SCHEMBL3931229 0.84 MAPT (0.55) HSD11B1MAPTTP53LMNAGAA

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 1/4885MAPT 1529/4885TP53 2398/4885

“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.