SCHEMBL3759637

SCHEMBL3759637

COC(=O)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.61
KCNH2 Q12809 1/20 0.53
PTGER4 P35408 1/20 0.52
KDM4E B2RXH2 1/20 0.51
CNR1 P21554 3/20 0.49

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
SCHEMBL3998631 0.90 CNR2 (0.63) CNR2CNR1
SCHEMBL4468620 0.89 CNR2 (0.58) CNR2KCNH2CNR1
SCHEMBL3760023 0.88 CNR2 (0.65) CNR2KCNH2PTGER4
SCHEMBL3762422 0.88 CNR2 (0.65) CNR2KCNH2PTGER4KDM4ECNR1
SCHEMBL4474611 0.86 CNR2 (0.57) CNR2KCNH2CNR1
SCHEMBL4467733 0.85 CNR2 (0.59) CNR2KCNH2CNR1
SCHEMBL13605981 0.84 CNR2 (0.63) CNR2KCNH2CNR1
SCHEMBL3767375 0.84 CNR2 (0.53) CNR2KCNH2CNR1
SCHEMBL4469062 0.83 CNR2 (0.62) CNR2KCNH2CNR1
SCHEMBL13876938 0.83 CNR2 (0.59) CNR2KCNH2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305140-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2010-12-02 US disclosed
US-20100305140-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2010-12-02 US disclosed
US-20100305140-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2010-12-02 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
WO-2007145563-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
EP-1636193-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004108688-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-12-16 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 (2 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-20100305140-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR CNR1, CNR2, CCKAR CNR2 2/4885KCNH2 659/4885PTGER4 184/4885
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof BTF3, TYMS, F3 CNR2 1312/4885KCNH2 990/4885PTGER4 275/4885

“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.