Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | GRM5 | P41594 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4718743 | 0.77 | — | — | |
| SCHEMBL4720183 | 0.75 | — | — | |
| SCHEMBL4718025 | 0.72 | TRPA1 (0.30) | — | |
| SCHEMBL10382826 | 0.68 | MEN1 (0.35) | RAB9AALDH1A1SMN1; SMN2NPSR1MEN1 | |
| SCHEMBL959885 | 0.68 | GRM5 (0.38) | CCR1CCR8RAB9AGRM5MEN1 | |
| SCHEMBL852406 | 0.67 | PAX8 (0.42) | CCR1CCR8RAB9AGRM5NPSR1 | |
| SCHEMBL476880 | 0.67 | ALDH1A1 (0.34) | ALDH1A1NPSR1MEN1TSHRKMT2A | |
| Dimethylformamide SCHEMBL10814655 | 0.67 | CCR1 (0.48) | CCR1CCR8NOS3NOS2RAB9A | |
| SCHEMBL13145792 | 0.66 | CCR1 (0.43) | CCR1CCR8NOS3NOS2RAB9A | |
| SCHEMBL16741935 | 0.66 | CCR1 (0.52) | CCR1CCR8NOS3NOS2RAB9A |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1425010-B8 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | JANSSEN PHARMACEUTICALS INC (US) | 2012-03-28 | — | — | EP | disclosed |
| EP-1425010-B1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | ORTHO MCNEIL PHARM INC (US) | 2011-10-26 | — | — | EP | disclosed |
| EP-1425010-A4 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | ORTHO MCNEIL PHARM INC (US) | 2009-07-29 | — | — | EP | disclosed |
| EP-1216230-B1 | FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS | AMGEN INC (US) | 2008-04-23 | — | — | 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 |
| EP-1390362-B1 | SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS | ORTHO MCNEIL PHARM INC (US) | 2006-12-20 | — | — | EP | disclosed |
| US-20050250771-A1 | Substituted indoles and their use as integrin antagonists | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2005-11-10 | — | — | US | disclosed |
| US-20050228011-A1 | Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2005-10-13 | — | — | US | disclosed |
| US-20050209225-A1 | Substituted indoles and their use as integrin antagonists | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2005-09-22 | — | — | US | disclosed |
| US-20050165036-A1 | Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2005-07-28 | — | — | US | disclosed |
| US-6872730-B2 | Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2005-03-29 | — | — | US | disclosed |
| US-6855722-B2 | Substituted indoles and their use as integrin antagonists | DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2005-02-15 | — | — | US | disclosed |
| EP-1425010-A1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2004-06-09 | — | — | EP | disclosed |
| EP-1390362-A1 | SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2004-02-25 | — | — | EP | disclosed |
| US-6514964-B1 | Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors | AMGEN INC. | 2003-02-04 | — | — | US | disclosed |
| US-20030018064-A1 | Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2003-01-23 | — | — | US | disclosed |
| US-20020169200-A1 | Substituted indoles and their use as integrin antagonists | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-11-14 | — | — | US | disclosed |
| WO-2002088118-A1 | SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2002-11-07 | — | — | WO | disclosed |
| WO-2002060438-A1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2002-08-08 | — | — | 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 (7 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.
| Patent | Title | Text reads most about | Predicted 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 | CCR1 353/4885CCR8 642/4885NOS3 2316/4885 |
| US-20050165036-A1 | Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists | ITGB5, ITGAV, ITGB1 | CCR1 978/4885CCR8 1694/4885NOS3 1814/4885 |
| US-20030018064-A1 | Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists | VCAM1, ITGB1, ITGB7 | CCR1 411/4885CCR8 1036/4885NOS3 3047/4885 |
| US-20050209225-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGA5, ITGB5 | CCR1 721/4885CCR8 958/4885NOS3 1132/4885 |
| US-20050228011-A1 | Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists | ITGB5, ITGAV, ITGB1 | CCR1 978/4885CCR8 1694/4885NOS3 1814/4885 |
| US-20020169200-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGAL, ITGA5 | CCR1 327/4885CCR8 529/4885NOS3 1647/4885 |
| US-20050250771-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGA5, ITGB5 | CCR1 720/4885CCR8 960/4885NOS3 1176/4885 |
“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.