Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 4/20 | 0.53 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | BCL9 | O00512 | 2/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | BUB1 | O43683 | 1/20 | 0.36 |
| ▸ | PRKACG | P22612 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | ACSL5 | Q9ULC5 | 1/20 | 0.36 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 2/20 | 0.36 |
| ▸ | ULK1 | O75385 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2490421 | 1.00 | CNR1 (0.53) | CNR1NAMPTROCK2CYP2C9MAPK14 | |
| SCHEMBL3845925 | 0.86 | CNR1 (0.62) | CNR1CYP2C9MAPK14BCL9CTNNB1 | |
| SCHEMBL3844636 | 0.86 | CNR1 (0.62) | CNR1CYP2C9MAPK14BCL9CTNNB1 | |
| SCHEMBL2489100 | 0.85 | CNR1 (0.51) | CNR1NAMPTROCK2CYP2C9MAPK14 | |
| SCHEMBL2489102 | 0.85 | CNR1 (0.51) | CNR1NAMPTROCK2CYP2C9MAPK14 | |
| SCHEMBL2489826 | 0.82 | CNR1 (0.64) | CNR1 | |
| SCHEMBL2491985 | 0.82 | CNR1 (0.64) | CNR1 | |
| SCHEMBL2487228 | 0.80 | CNR1 (0.50) | CNR1CYP2C9MAPK14RORC | |
| SCHEMBL2487226 | 0.80 | CNR1 (0.50) | CNR1CYP2C9MAPK14RORC | |
| SCHEMBL3845282 | 0.79 | CNR1 (0.60) | CNR1NAMPTL3MBTL1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2066636-B1 | 5-PHENYL-NICOTINAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-10-26 | — | — | EP | claimed |
| US-7781593-B2 | CB1 cannabinoid receptor antagonists/inverse agonists; 5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methoxy-propyl)-nicotinamide for example; eating disorders, obesity, diabetes type II or non insulin dependent diabetes (NIDD), neuroinflammation, diarrhea, drug abuse | HOFFMANN-LA ROCHE INC. (US) | 2010-08-24 | — | — | US | claimed |
| EP-2066636-A1 | 5-PHENYL-NICOTINAMIDE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-06-10 | — | — | EP | claimed |
| US-20080070931-A1 | CB1 cannabinoid receptor antagonists/inverse agonists; 5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methoxy-propyl)-nicotinamide for example; eating disorders, obesity, diabetes type II or non insulin dependent diabetes (NIDD), neuroinflammation, diarrhea, drug abuse | HOFFMANN-LA ROCHE INC. | 2008-03-20 | — | — | US | claimed |
| WO-2008031734-A1 | 5-PHENYL-NICOTINAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-20 | — | — | WO | claimed |
| EP-2066636-B1 | 5-PHENYL-NICOTINAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-10-26 | — | — | EP | disclosed |
| US-7781593-B2 | CB1 cannabinoid receptor antagonists/inverse agonists; 5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methoxy-propyl)-nicotinamide for example; eating disorders, obesity, diabetes type II or non insulin dependent diabetes (NIDD), neuroinflammation, diarrhea, drug abuse | HOFFMANN-LA ROCHE INC. (US) | 2010-08-24 | — | — | US | disclosed |
| EP-2066636-A1 | 5-PHENYL-NICOTINAMIDE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-06-10 | — | — | EP | disclosed |
| US-20080070931-A1 | CB1 cannabinoid receptor antagonists/inverse agonists; 5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methoxy-propyl)-nicotinamide for example; eating disorders, obesity, diabetes type II or non insulin dependent diabetes (NIDD), neuroinflammation, diarrhea, drug abuse | HOFFMANN-LA ROCHE INC. | 2008-03-20 | — | — | US | disclosed |
| WO-2008031734-A1 | 5-PHENYL-NICOTINAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-20 | — | — | 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 (1 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-20080070931-A1 | CB1 cannabinoid receptor antagonists/inverse agonists; 5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methoxy-propyl)-nicotinamide for example; eating disorders, obesity, diabetes type II or non insulin dependent diabetes (NIDD), neuroinflammation, diarrhea, drug abuse | CNR2, CNR1, GPR119 | CNR1 2/4885NAMPT 81/4885ROCK2 4238/4885 |
“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.