SCHEMBL3972587

SCHEMBL3972587

CCC(C)(C)c1nc2cc(NS(=O)(=O)N(C)C)ccc2n1CC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.56
CNR1 P21554 3/20 0.54
KCNH2 Q12809 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
SCHEMBL4966045 0.85 CNR2 (0.61) CNR2CNR1KCNH2
SCHEMBL3917596 0.82 CNR2 (0.65) CNR2CNR1
SCHEMBL3968288 0.82 CNR2 (0.53) CNR2CNR1KCNH2
SCHEMBL13876960 0.81 CNR2 (0.52) CNR2CNR1KCNH2
SCHEMBL3974268 0.80 CNR2 (0.52) CNR2CNR1KCNH2
SCHEMBL3976750 0.79 CNR2 (0.50) CNR2CNR1KCNH2
SCHEMBL3973123 0.78 CNR2 (0.57) CNR2CNR1KCNH2
SCHEMBL4469869 0.77 CNR2 (0.59) CNR2CNR1KCNH2
Hydrochloric Acid SCHEMBL3975859 0.77 CNR2 (0.56) CNR2CNR1KCNH2
SCHEMBL4965771 0.76 CNR2 (0.72) CNR2CNR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US claimed
EP-1670769-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-29 EP claimed
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-08-28 US claimed
EP-1670769-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP claimed
WO-2005030732-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO claimed
US-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US disclosed
US-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US disclosed
US-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US disclosed
EP-1670769-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-29 EP disclosed
EP-1670769-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-29 EP disclosed
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-08-28 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-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof CYP3A4, CYP2C19, H1-3 CNR2 691/4885CNR1 689/4885KCNH2 262/4885

“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.