SCHEMBL1157996

SCHEMBL1157996

O=c1cc(CO)n(-c2ccccc2)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
COMT P21964 15/20 1.00

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
SCHEMBL14827207 0.83 COMT (0.71) COMT
SCHEMBL2440018 0.83 COMT (0.71) COMT
SCHEMBL14816050 0.81 COMT (0.68) COMT
SCHEMBL14816437 0.81 COMT (0.73) COMT
SCHEMBL14815808 0.80 COMT (0.66) COMT
SCHEMBL6901220 0.79 COMT (1.00) COMT
SCHEMBL6901213 0.78 COMT (0.64) COMT
SCHEMBL6900337 0.77 COMT (0.62) COMT
SCHEMBL14827201 0.76 COMT (0.77) COMT
SCHEMBL6900205 0.75 COMT (0.78) COMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9399651-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders Merck, Sharp & Dohme Corp. (US) 2016-07-26 US disclosed
US-20150299227-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2015-10-22 US disclosed
US-9024032-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
US-20130084346-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-04-04 US disclosed
US-8222279-B2 Small molecule insulin mimetics absent quinones DUKE UNIVERSITY (US) 2012-07-17 US disclosed
US-20110028519-A1 SMALL MOLECULE INSULIN MIMETICS ABSENT QUINONES PIRRUNG MICHAEL C 2011-02-03 US disclosed
US-7834050-B2 Use of indole compounds such as 3-Hydroxy-6-hydroxymethyl-1-methyl-2-[7-(3-methyl-but-2-enyl)-1H-indol-3-yl]-pyridin-4-one DUKE UNIVERSITY (US) 2010-11-16 US disclosed
US-20070232663-A1 SMALL MOLECULE INSULIN MIMETICS ABSENT QUINONES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-04 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 (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-20110028519-A1 SMALL MOLECULE INSULIN MIMETICS ABSENT QUINONES IAPP, GPR119, IRS1 COMT 1858/4885
US-20150299227-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS COMT, PNMT, TPMT COMT 1/4885
US-20070232663-A1 SMALL MOLECULE INSULIN MIMETICS ABSENT QUINONES IAPP, GPR119, IRS1 COMT 1858/4885
US-20130084346-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS COMT, PNMT, TPMT COMT 1/4885

“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.