SCHEMBL2494472

SCHEMBL2494472

OCCc1ccc2c(n1)NCCO2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 14/20 0.41
ITGB3 P05106 13/20 0.41
ITGB1 P05556 2/20 0.41
ITGA5 P08648 1/20 0.41
GRM5 P41594 2/20 0.37
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ITGB6 P18564 4/20 0.33
ITGA2B P08514 2/20 0.32
ITGB5 P18084 1/20 0.32
ITGB8 P26012 1/20 0.32
FABP6 P51161 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL6261287 0.91 ITGAV (0.37) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL14476045 0.87 GRM5 (0.39) ITGAVITGB3ITGB1ITGA5GRM5
SCHEMBL26538782 0.84 ITGB3 (0.39) ITGAVITGB3ITGB1ITGA5GRM5
SCHEMBL24440037 0.84 ITGAV (0.39) ITGAVITGB3ITGB1ITGA5GRM5
SCHEMBL8172614 0.82 ITGAV (0.38) ITGAVITGB3ITGB1ITGA5GRM5
SCHEMBL26457526 0.81 ALDH1A1 (0.40) ITGAVITGB3ITGB1ITGA5GRM5
SCHEMBL12807108 0.81 KCNH2 (0.42) ITGAVITGB3ITGB1ITGA5GRM5
SCHEMBL6106216 0.79 ITGB3 (0.52) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL8039387 0.79 ITGAV (0.40) ITGAVITGB3ITGB1ITGA5GRM5
SCHEMBL8325969 0.79 ITGAV (0.40) ITGAVITGB3ITGB1ITGA5GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425010-B1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2011-10-26 EP disclosed
US-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester LU TIANBO 2007-09-20 US disclosed
US-7241789-B2 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICAL, INC. (US) 2007-07-10 US disclosed
US-20050250771-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-11-10 US disclosed
US-6949578-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-09-27 US disclosed
US-20050209225-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-09-22 US disclosed
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-6900232-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-05-31 US disclosed
US-6855722-B2 Substituted indoles and their use as integrin antagonists DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-20040259869-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2004-12-23 US disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 US disclosed
US-20040043988-A1 Cycloalkyl alkanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-03-04 US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 US disclosed
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-06-20 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 (8 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-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester ITGA5, ADGRE5, ITGAV ITGAV 3/4885ITGB3 10/4885ITGB1 5/4885
US-20040043988-A1 Cycloalkyl alkanoic acids as intergrin receptor antagonists ADGRE5, ITGA5, ADGRF1 ITGAV 7/4885ITGB3 5/4885ITGB1 8/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 ITGAV 1/4885ITGB3 6/4885ITGB1 5/4885
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 ITGAV 6/4885ITGB3 3/4885ITGB1 5/4885
US-20040259869-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists ITGA5, ITGB5, ITGB3 ITGAV 7/4885ITGB3 3/4885ITGB1 6/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 ITGAV 1/4885ITGB3 10/4885ITGB1 4/4885
US-20050250771-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 ITGAV 1/4885ITGB3 6/4885ITGB1 5/4885
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists ITGA5, ITGB5, ITGB3 ITGAV 7/4885ITGB3 3/4885ITGB1 6/4885

“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.