SCHEMBL2488313

SCHEMBL2488313

COC(=O)/C=C/n1ccc2cc(CCCc3ccc4cccnc4n3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 18/20 0.44
OXGR1 Q96P68 2/20 0.40
BDKRB1 P46663 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
ITGB5 P18084 1/20 0.34

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
SCHEMBL2488314 1.00 SUCNR1 (0.44) SUCNR1OXGR1BDKRB1ITGB3ITGAV
SCHEMBL861448 0.82 ACP1 (0.32) SUCNR1
SCHEMBL861449 0.82 ACP1 (0.32) SUCNR1
SCHEMBL2488316 0.78 USP9X (0.33) SUCNR1OXGR1
SCHEMBL861782 0.75 SUCNR1 (0.44) SUCNR1OXGR1ITGB3ITGAVITGB5
SCHEMBL861147 0.75 SUCNR1 (0.40) SUCNR1OXGR1ITGB3ITGAVITGB5
SCHEMBL861146 0.75 SUCNR1 (0.40) SUCNR1OXGR1ITGB3ITGAVITGB5
SCHEMBL860604 0.73 SUCNR1 (0.38) SUCNR1OXGR1ITGB3ITGAVITGB5
SCHEMBL861442 0.72 ITGB3 (0.54) SUCNR1OXGR1ITGB3ITGAVITGB5
SCHEMBL5245682 0.67 SUCNR1 (0.53) SUCNR1OXGR1BDKRB1

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 7 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-20050209225-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-09-22 US disclosed
US-6855722-B2 Substituted indoles and their use as integrin antagonists DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 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-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 SUCNR1 1024/4885OXGR1 1246/4885BDKRB1 49/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 SUCNR1 949/4885OXGR1 1510/4885BDKRB1 65/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 SUCNR1 559/4885OXGR1 1358/4885BDKRB1 85/4885
US-20050250771-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 SUCNR1 943/4885OXGR1 1471/4885BDKRB1 68/4885

“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.