SCHEMBL3940394

SCHEMBL3940394

O=C(c1ccc(N2CCN(C(=O)N3CCC(c4cn[nH]c4)C3)c3ccccc32)cc1)N1CCCC1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.82
ROCK2 O75116 2/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.40
HTR2B P41595 1/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1860266 0.93 HSD11B1 (0.77) HSD11B1ROCK2NPC1RAB9AATM
SCHEMBL3932779 0.93 HSD11B1 (0.77) HSD11B1ROCK2NPC1RAB9AATM
SCHEMBL1860418 0.91 HSD11B1 (0.85) HSD11B1ROCK2NPC1RAB9AATM
SCHEMBL1858468 0.90 HSD11B1 (1.00) HSD11B1ROCK2
SCHEMBL1856868 0.89 HSD11B1 (0.81) HSD11B1ROCK2
SCHEMBL1860793 0.87 HSD11B1 (0.79) HSD11B1ROCK2
SCHEMBL1856402 0.87 HSD11B1 (1.00) HSD11B1ROCK2NPC1RAB9AHPGD
SCHEMBL1860157 0.86 HSD11B1 (1.00) HSD11B1ROCK2
SCHEMBL1856442 0.86 HSD11B1 (1.00) HSD11B1ROCK2
SCHEMBL1856437 0.86 HSD11B1 (1.00) 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 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 1/4885ROCK2 3507/4885NPC1 494/4885

“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.