SCHEMBL3929608

SCHEMBL3929608

COc1ccc2c(c1)N(C(=O)N1CCC(c3cccnc3)C1)CCO2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.54
THRB P10828 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 4/20 0.46
PIK3CD O00329 6/20 0.45
PIK3CA P42336 6/20 0.45
CYP19A1 P11511 1/20 0.43
SPR P35270 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 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
SCHEMBL1855963 0.89 HSD11B1 (0.54) HSD11B1THRBALDH1A1CYP3A4CYP2D6
SCHEMBL3939347 0.86 HSD11B1 (0.55) HSD11B1TP53MAPTCYP19A1SPR
SCHEMBL1856790 0.86 HSD11B1 (0.57) HSD11B1THRBTP53MAPTSPR
SCHEMBL1858381 0.85 HSD11B1 (0.70) HSD11B1THRBTP53MAPTSPR
SCHEMBL1857708 0.85 HSD11B1 (0.53) HSD11B1THRBALDH1A1CYP3A4CYP2D6
SCHEMBL3937707 0.84 HSD11B1 (0.54) HSD11B1TP53MAPTSPR
Hydrochloric Acid SCHEMBL1857438 0.84 HSD11B1 (0.69) HSD11B1THRBTP53MAPTSPR
Hydrochloric Acid SCHEMBL1856746 0.84 HSD11B1 (0.52) HSD11B1THRBALDH1A1CYP3A4CYP2D6
SCHEMBL1854822 0.82 HSD11B1 (0.65) HSD11B1ALDH1A1TP53SPRLMNA
SCHEMBL3931330 0.81 HSD11B1 (0.55) HSD11B1TP53MAPTSPRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885THRB 927/4885ALDH1A1 46/4885

“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.