Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.78 |
| ▸ | TACR3 | P29371 | 8/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL1876313 | 0.98 | TACR1 (0.75) | TACR1TACR3CYP3A4 | |
| SCHEMBL1871713 | 0.95 | TACR1 (0.73) | TACR1TACR3CYP3A4 | |
| SCHEMBL1872165 | 0.91 | TACR1 (0.72) | TACR1TACR3CYP3A4 | |
| SCHEMBL1874059 | 0.91 | TACR1 (0.79) | TACR1TACR3CYP3A4 | |
| SCHEMBL1399404 | 0.91 | TACR1 (0.82) | TACR1TACR3CYP3A4 | |
| SCHEMBL1869493 | 0.90 | TACR1 (0.81) | TACR1TACR3CYP3A4 | |
| Hydrochloric Acid SCHEMBL6635729 | 0.90 | TACR1 (0.81) | TACR1TACR3CYP3A4 | |
| SCHEMBL4373285 | 0.90 | TACR1 (0.82) | TACR1TACR3CYP3A4 | |
| SCHEMBL1881979 | 0.90 | TACR1 (0.76) | TACR1TACR3CYP3A4 | |
| SCHEMBL4372590 | 0.89 | TACR1 (0.81) | TACR1TACR3CYP3A4 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7160881-B2 | Crystalline modifications of 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo-1 λ6-thiomorpholin-4-yl)-4-(4-fluoro-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-isobutyramide | HOFFMANN-LA ROCHE INC. (US) | 2007-01-09 | — | — | US | claimed |
| US-20040186100-A1 | Crystalline modifications of 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo-1 lambda 6-thiomorpholin-4-yl)-4-(4-fluoro-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-isobutyramide | HOFFMANN-LA ROCHE INC. | 2004-09-23 | — | — | US | claimed |
| CN-100562320-C | Novel crystal variants of 2-(3, 5-di-trifluoromethyl-phenyl)-N-[6-(1, 1-dioxo-1λ6-thiomorpholin-4-yl)-4-(4-fluoro-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-isobutyramide | HOFFMANN LA ROCHE (CH) | 2009-11-25 | — | — | CN | disclosed |
| EP-1414525-B1 | 2-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-N-¬6-(1,1-DIOXO-1.LAMBDA.6-THIOMORPHOLIN-4-YL)-4-(2-METHYL OR 4-FLUORO-2-METHYL SUBSTITUTED)PHENYL-PYRIDIN-3-YL -N-METHYL-ISOBUTYRAMIDE | HOFFMANN LA ROCHE (CH) | 2009-05-06 | — | — | EP | disclosed |
| EP-1592428-B1 | NEW CRYSTALLINE MODIFICATION OF 2-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-N- 6-(1,1-DIOXO-1LAMDA-6 -THIOMORPHOLIN-4-YL)-4(4-FLUORO-2-METHYL-PHENYL)-PYRIDIN-3-YL -N-METHYL-ISOBUTYRAMIDE | HOFFMANN LA ROCHE (CH) | 2007-07-11 | — | — | EP | disclosed |
| EP-1592428-B1 | NEW CRYSTALLINE MODIFICATION OF 2-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-N- 6-(1,1-DIOXO-1LAMDA-6 -THIOMORPHOLIN-4-YL)-4(4-FLUORO-2-METHYL-PHENYL)-PYRIDIN-3-YL -N-METHYL-ISOBUTYRAMIDE | HOFFMANN LA ROCHE (CH) | 2007-07-11 | — | — | EP | disclosed |
| US-7160881-B2 | Crystalline modifications of 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo-1 λ6-thiomorpholin-4-yl)-4-(4-fluoro-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-isobutyramide | HOFFMANN-LA ROCHE INC. (US) | 2007-01-09 | — | — | US | disclosed |
| US-7160881-B2 | Crystalline modifications of 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo-1 λ6-thiomorpholin-4-yl)-4-(4-fluoro-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-isobutyramide | HOFFMANN-LA ROCHE INC. (US) | 2007-01-09 | — | — | US | disclosed |
| US-7160881-B2 | Crystalline modifications of 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo-1 λ6-thiomorpholin-4-yl)-4-(4-fluoro-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-isobutyramide | HOFFMANN-LA ROCHE INC. (US) | 2007-01-09 | — | — | US | disclosed |
| CN-1744900-A | Crystalline modifications of 2-(3,5-bis-trifluoromethyl-phenyl)-n-[6-(1,1-dioxo-1 lambda 6-thiomorpholin-4-yl)-4-(4-fluoro-2-methyl-phenyl)-pyridin-3-yl]-n-methyl-isobutyramide | HOFFMANN LA ROCHE (CH) | 2006-03-08 | — | — | CN | disclosed |
| EP-1592428-A1 | NEW CRYSTALLINE MODIFICATION OF 2-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-N- 6-(1,1-DIOXO-1&lgr; sp 6 /sp -THIOMORPHOLIN-4-YL)-4(4-F LUORO-2-METHYL-PHENYL)-PYRIDIN-3-YL -N-METHYL-ISOBUTYRAMIDE | F. Hoffmann-La Roche AG (CH) | 2005-11-09 | — | — | EP | disclosed |
| US-6849624-B2 | Aromatic and heteroaromatic substituted amides | HOFFMANN-LA ROCHE INC. (US) | 2005-02-01 | — | — | US | disclosed |
| US-20040186100-A1 | Crystalline modifications of 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo-1 lambda 6-thiomorpholin-4-yl)-4-(4-fluoro-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-isobutyramide | HOFFMANN-LA ROCHE INC. | 2004-09-23 | — | — | US | disclosed |
| WO-2004067007-A1 | NEW CRYSTALLINE MODIFICATION OF 2-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-N-[6-(1,1-DIOXO-1λ6-THIOMORPHOLIN-4-YL)-4(4-FLUORO-2-METHYL-PHENYL)-PYRIDIN-3-YL]-N-METHYL-ISOBUTYRAMIDE | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-12 | — | — | WO | disclosed |
| EP-1414525-A2 | 2-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-N-[6-(1,1-DIOXO-1.LAMBDA.6-THIOMORPHOLIN-4-YL)-4-(2-METHYL OR 4-FLUORO-2-METHYL SUBSTITUTED)PHENYL-PYRIDIN-3-YL]-N-METHYL-ISOBUTYRAMIDE | F. HOFFMANN-LA ROCHE AG (CH) | 2004-05-06 | — | — | EP | disclosed |
| US-20030064983-A1 | Aromatic and heteroaromatic substituted amides | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2003-04-03 | — | — | US | disclosed |
| WO-2003011860-A2 | 2-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-N-[6-(1,1-DIOXO-1λ6-THIOMORPHOLIN-4-YL)-4-(2-METHYL OR 4-FLUORO-2-METHYL SUBSTITUTED)PHENYL-PYRIDIN-3-YL]-N-METHYL-ISOBUTYRAMIDE | F. HOFFMANN-LA ROCHE AG (CH) | 2003-02-13 | — | — | 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 (2 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-20030064983-A1 | Aromatic and heteroaromatic substituted amides | OPRK1, HRH4, OPRL1 | TACR1 199/4885TACR3 871/4885CYP3A4 353/4885 |
| US-20040186100-A1 | Crystalline modifications of 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo-1 lambda 6-thiomorpholin-4-yl)-4-(4-fluoro-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-isobutyramide | TUBA3C, SFN, CCT4 | TACR1 4077/4885TACR3 3023/4885CYP3A4 949/4885 |
“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.