SCHEMBL4402806

SCHEMBL4402806

CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(Br)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.54
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PDE4B Q07343 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
CHEK2 O96017 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
STS P08842 2/20 0.44
KCNH2 Q12809 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
SCHEMBL15202721 0.94 GPR119 (0.48) GPR119HRH3ALDH1A1PDE4BCHEK2
SCHEMBL2825514 0.88 GPR119 (0.53) GPR119HRH3ALDH1A1PDE4BPDE4A
SCHEMBL214982 0.88 GPR119 (0.55) GPR119HRH3ALDH1A1PDE4BPDE4A
SCHEMBL217021 0.87 GPR119 (0.54) GPR119HRH3ALDH1A1PDE4BPDE4A
SCHEMBL2491113 0.87 GPR119 (0.63) GPR119HRH3ALDH1A1PDE4BPDE4A
SCHEMBL1447329 0.86 GPR119 (0.54) GPR119HRH3ALDH1A1PDE4BPDE4A
SCHEMBL21633387 0.85 GPR119 (0.53) GPR119HRH3ALDH1A1PDE4BPDE4A
SCHEMBL12041715 0.85 GPR119 (0.53) GPR119HRH3ALDH1A1CHEK2LMNA
SCHEMBL215338 0.85 GPR119 (0.54) GPR119HRH3ALDH1A1PDE4BPDE4A
SCHEMBL27087822 0.85 GPR119 (0.54) GPR119HRH3ALDH1A1PDE4BPDE4A

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
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
EP-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 GPR119 3158/4885HRH3 2067/4885ALDH1A1 178/4885

“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.