SCHEMBL4171896

SCHEMBL4171896

O=C(N1CCC(c2cn[nH]c2)C1)N1CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 1.00
POLB P06746 1/20 0.48

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
SCHEMBL28780902 0.95 HSD11B1 (1.00) HSD11B1
SCHEMBL1856847 0.83 HSD11B1 (0.71) HSD11B1POLB
SCHEMBL1856848 0.83 HSD11B1 (0.71) HSD11B1POLB
SCHEMBL1855894 0.83 HSD11B1 (1.00) HSD11B1
SCHEMBL3929966 0.82 HSD11B1 (1.00) HSD11B1
SCHEMBL1857917 0.81 HSD11B1 (1.00) HSD11B1POLB
SCHEMBL1860343 0.81 HSD11B1 (0.68) HSD11B1POLB
SCHEMBL1857680 0.80 HSD11B1 (0.67) HSD11B1POLB
SCHEMBL3934266 0.80 HSD11B1 (1.00) HSD11B1
SCHEMBL1860999 0.80 HSD11B1 (0.66) HSD11B1POLB

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 1 patent. 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

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 58/4885

“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.