SCHEMBL926844

SCHEMBL926844

CC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(-c2cnccn2)nc1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.79

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
SCHEMBL2645217 0.95 GCK (0.72) GCK
SCHEMBL2645952 0.93 GCK (0.84) GCK
SCHEMBL2644645 0.91 GCK (0.87) GCK
Trifluoroacetic Acid SCHEMBL2646385 0.91 GCK (0.80) GCK
SCHEMBL1197960 0.90 GCK (0.84) GCK
SCHEMBL2644408 0.89 GCK (0.82) GCK
SCHEMBL2646557 0.89 GCK (0.82) GCK
SCHEMBL2644324 0.89 GCK (0.82) GCK
SCHEMBL2646438 0.89 GCK (0.82) GCK
SCHEMBL2646682 0.89 GCK (0.85) GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP claimed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US claimed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US claimed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP claimed
US-8455520-B2 Soluble epoxide hydrolase inhibitors, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-20110039860-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. 2011-02-17 US disclosed
US-20110003849-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2011-01-06 US disclosed
EP-2259680-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Sharp & Dohme Corp. (US) 2010-12-15 EP disclosed
US-20100197691-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2010-08-05 US disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
EP-2178534-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Sharp & Dohme Corp. (US) 2010-04-28 EP disclosed
WO-2009111207-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2009-09-11 WO disclosed
WO-2009011872-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2009-01-22 WO disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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 (4 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-20100197691-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT EPHX1, EPHX2, PTGIS GCK 1620/4885
US-20110003849-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT EPHX1, EPHX2, PTGIS GCK 1449/4885
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 GCK 1/4885
US-20110039860-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT EPHX1, EPHX2, PTGIS GCK 1856/4885

“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.