SCHEMBL585481

SCHEMBL585481

CC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2CC1CCC(F)(F)CC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.73
CNR1 P21554 4/20 0.73
KCNH2 Q12809 1/20 0.50

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
SCHEMBL584256 0.93 CNR2 (0.64) CNR2CNR1KCNH2
SCHEMBL3920260 0.92 CNR2 (0.73) CNR2CNR1KCNH2
SCHEMBL10048486 0.90 CNR2 (0.70) CNR2CNR1KCNH2
SCHEMBL584056 0.88 CNR2 (0.56) CNR2CNR1KCNH2
SCHEMBL3977378 0.88 CNR2 (0.61) CNR2CNR1KCNH2
SCHEMBL583992 0.87 CNR2 (0.76) CNR2CNR1KCNH2
SCHEMBL1608877 0.86 CNR2 (0.64) CNR2CNR1
SCHEMBL584109 0.84 CNR2 (1.00) CNR2CNR1KCNH2
SCHEMBL583386 0.83 CNR2 (1.00) CNR2CNR1KCNH2
SCHEMBL585484 0.83 CNR2 (0.84) 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-20100022610-A1 New Crystalline Forms BOHLIN MARTIN 2010-01-28 US disclosed
US-20100022610-A1 New Crystalline Forms BOHLIN MARTIN 2010-01-28 US disclosed
US-20100022610-A1 New Crystalline Forms BOHLIN MARTIN 2010-01-28 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7550495-B2 Compounds, compositions containing them, preparation thereof and uses thereof I ASTRAZENECA AB (SE) 2009-06-23 US disclosed
WO-2007120101-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 US disclosed
WO-2007108754-A1 CRYSTALLINE FORMS OF N- {2-TERT -BUTYL -1- [ (4,4- DIF LUOROCYCLOHEXYL) METHYL] -LH-BENZIMIDAZOL-5- YL}ETHANESULFONAMIDE SALTS ASTRAZENECA AB (SE) 2007-09-27 WO disclosed
US-20070225346-A1 Crystalline Forms ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070225346-A1 Crystalline Forms ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070225346-A1 Crystalline Forms ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2006-11-23 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 (5 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-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R CNR2 83/4885CNR1 54/4885KCNH2 397/4885
US-20110086853-A1 Therapeutic Compounds OPRL1, F12, F3 CNR2 187/4885CNR1 35/4885KCNH2 795/4885
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management OPRM1, OPRL1, OPRK1 CNR2 13/4885CNR1 5/4885KCNH2 274/4885
US-20100022610-A1 New Crystalline Forms ME1, TST, FH CNR2 4419/4885CNR1 4422/4885KCNH2 2472/4885
US-20070225346-A1 Crystalline Forms TST, ME1, FH CNR2 4386/4885CNR1 4362/4885KCNH2 2155/4885

“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.