SCHEMBL5696971

SCHEMBL5696971

O=C(O)c1ccc2ncn(Cc3ccc(F)cc3)c(=O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.65

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
SCHEMBL5696866 0.88 MMP13 (0.56) MMP13
SCHEMBL2611301 0.87 MMP13 (0.65) MMP13
SCHEMBL6296213 0.86 MMP13 (0.66) MMP13
SCHEMBL2316656 0.86 SCD (0.66) MMP13
SCHEMBL6426133 0.85 MMP13 (0.85) MMP13
SCHEMBL5697102 0.84 MMP13 (0.57) MMP13
SCHEMBL5696989 0.84 SCD (0.62) MMP13
SCHEMBL23520500 0.84 MMP13 (0.65) MMP13
SCHEMBL6297382 0.84 MMP13 (0.58) MMP13
SCHEMBL6298035 0.83 MMP13 (0.64) MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492775-A2 OXO-AZABICYCLIC COMPOUNDS Warner-Lambert Company LLC (US) 2005-01-05 EP claimed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 US claimed
US-20030216402-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-20 US claimed
WO-2003076417-A2 OXO-AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 WO claimed
WO-2003076416-A1 OXO AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 WO claimed
EP-1680125-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR Warner-Lambert Company LLC (US) 2006-07-19 EP disclosed
US-6894057-B2 Oxo-azabicyclic compounds WARNER-LAMBERT COMPANY (US) 2005-05-17 US disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
EP-1492775-A2 OXO-AZABICYCLIC COMPOUNDS Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-6747147-B2 INHIBITORS OF TYPE-13 MATRIX METTALOPROTEASE. RHEUMATOID ARTHRITIS OR OSTEOARTHRITIS, AS WELL AS CERTAIN PROLIFERATIVE CONDITIONS SUCH AS CANCERS, PARTICULARLY HUMAN BREAST CANCER WARNER-LAMBERT COMPANY 2004-06-08 US disclosed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 US disclosed
US-20030216402-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-20 US disclosed
WO-2003076416-A1 OXO AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 WO disclosed
WO-2003076417-A2 OXO-AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 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 (3 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-20030216402-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, XDH MMP13 1/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 MMP13 1/4885
US-20030220355-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, CA13 MMP13 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.