Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 12/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2331363 | 1.00 | AAK1 (0.51) | AAK1BCHECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2329782 | 0.89 | AAK1 (0.49) | AAK1BCHECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1479062 | 0.89 | AAK1 (0.49) | AAK1BCHECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19328213 | 0.89 | AAK1 (0.64) | AAK1 | |
| SCHEMBL19328214 | 0.89 | AAK1 (0.64) | AAK1 | |
| SCHEMBL20427428 | 0.89 | AAK1 (0.48) | AAK1BCHECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17493900 | 0.89 | AAK1 (0.48) | AAK1BCHECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17494050 | 0.87 | AAK1 (0.49) | AAK1BCHECACNA1BPTPN1CTSS | |
| SCHEMBL17494049 | 0.87 | AAK1 (0.49) | AAK1BCHECACNA1BPTPN1CTSS | |
| SCHEMBL30280118 | 0.85 | AAK1 (0.46) | AAK1BCHECYP3A4CYP2C9CYP2C19 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8791103-B2 | Carboxylic acid amides, the preparation thereof and their use as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-29 | — | — | US | disclosed |
| US-20130237522-A1 | CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-09-12 | — | — | US | disclosed |
| US-8445525-B2 | Carboxylic acid amides, the preparation thereof and their use as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-21 | — | — | US | disclosed |
| EP-1771441-B1 | NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2011-08-17 | — | — | EP | disclosed |
| US-7947700-B2 | Factor Xa or related serine protease inhibitors; such as 3-chloro-N-[1-(5-chloro-1H-benzimidazol-2-yl)-ethyl]-4-(1,4-diazepan-1-yl)benzamide | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-05-24 | — | — | US | disclosed |
| US-20110077236-A1 | NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-03-31 | — | — | US | disclosed |
| US-20080146539-A1 | NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-06-19 | — | — | US | disclosed |
| US-7371743-B2 | Carboxylic acid amides, the preparation thereof and their use as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-05-13 | — | — | US | disclosed |
| US-20050203078-A1 | Inhibitors of factor Xa or related serine proteases; thrombosis; benzamide derivatives with benzimidazole, indole or imidazo(1,2-a)pyridine rings; e.g. 4-(azepan-2-on-1-yl)-N-[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)-2-methoxy-ethyl]-3-methyl-benzamide | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-15 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080146539-A1 | NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | OAT, ASS1, OTC | AAK1 2929/4885BCHE 1936/4885CYP3A4 325/4885 |
| US-20110077236-A1 | NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | OAT, ASS1, OTC | AAK1 2929/4885BCHE 1936/4885CYP3A4 325/4885 |
| US-20130237522-A1 | CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | ASS1, GOT1, OAT | AAK1 2492/4885BCHE 1823/4885CYP3A4 436/4885 |
| US-20050203078-A1 | Inhibitors of factor Xa or related serine proteases; thrombosis; benzamide derivatives with benzimidazole, indole or imidazo(1,2-a)pyridine rings; e.g. 4-(azepan-2-on-1-yl)-N-[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)-2-methoxy-ethyl]-3-methyl-benzamide | F12, TFPI, F11 | AAK1 1392/4885BCHE 797/4885CYP3A4 375/4885 |
“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.