SCHEMBL1857680

SCHEMBL1857680

O=C(N1CCC(c2ccc(F)nc2)C1)N1CCCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.67
POLB P06746 2/20 0.47
SMO Q99835 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1860343 0.88 HSD11B1 (0.68) HSD11B1POLBSMOSMN1; SMN2ALDH1A1
SCHEMBL1860999 0.85 HSD11B1 (0.66) HSD11B1POLBSMOALDH1A1
SCHEMBL2072531 0.84 HSD11B1 (0.61) HSD11B1POLBSMN1; SMN2ALDH1A1
SCHEMBL1857858 0.82 HSD11B1 (0.66) HSD11B1POLBSMOSMN1; SMN2
SCHEMBL1856848 0.82 HSD11B1 (0.71) HSD11B1POLBSMOSMN1; SMN2
SCHEMBL1856847 0.82 HSD11B1 (0.71) HSD11B1POLBSMOSMN1; SMN2
SCHEMBL4171896 0.80 HSD11B1 (1.00) HSD11B1POLB
SCHEMBL1856385 0.79 HSD11B1 (0.61) HSD11B1POLBSMOSMN1; SMN2
SCHEMBL3932825 0.78 HSD11B1 (0.66) HSD11B1POLBSMOSMN1; SMN2
SCHEMBL1860172 0.78 HSD11B1 (0.62) HSD11B1POLBSMOSMN1; SMN2

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 1/4885POLB 58/4885SMO 4646/4885

“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.