Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6637361 | 0.85 | CYP1A2 (0.60) | CYP1A2GRIN2DGRIN3BCHRM1ADRA1D | |
| SCHEMBL31121832 | 0.85 | CYP1A2 (0.60) | CYP1A2GRIN2DGRIN3BCHRM1ADRA1D | |
| SCHEMBL4675475 | 0.84 | CNR2 (0.53) | CYP1A2CNR2TACR1MEN1CYP3A4 | |
| SCHEMBL18329174 | 0.84 | CYP1A2 (0.61) | CYP1A2GRIN2DGRIN3BCHRM1ADRA1D | |
| SCHEMBL4374064 | 0.82 | CYP1A2 (0.41) | CYP1A2CNR2TACR1MEN1CYP3A4 | |
| SCHEMBL905377 | 0.77 | TACR1 (0.45) | CYP1A2CNR2TACR1GPBAR1SMO | |
| SCHEMBL4374612 | 0.76 | TACR1 (0.43) | CNR2TACR1CYP3A4ALDH1A1GPBAR1 | |
| SCHEMBL19312458 | 0.73 | CNR2 (0.48) | CYP1A2CNR2TACR1MEN1CYP3A4 | |
| SCHEMBL17231783 | 0.72 | CYP1A2 (0.64) | CYP1A2TACR1MEN1CYP3A4CYP2D6 | |
| SCHEMBL6979877 | 0.72 | PRKDC (0.37) | CYP1A2TACR1ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| 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-1385577-B1 | USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | disclosed |
| US-6849624-B2 | Aromatic and heteroaromatic substituted amides | HOFFMANN-LA ROCHE INC. (US) | 2005-02-01 | — | — | US | 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 |
| EP-1385577-A2 | USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA | F. Hoffman-la Roche AG (CH) | 2004-02-04 | — | — | 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 |
| US-20030004157-A1 | Use of NK-1 receptor antagonists against benign prostatic hyperplasia | F. HOFFMANN-LA ROCHE AG (CH) | 2003-01-02 | — | — | US | disclosed |
| WO-2002085458-A2 | USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA | F. HOFFMAN-LA ROCHE AG (CH) | 2002-10-31 | — | — | 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 | CYP1A2 1378/4885GRIN2D 1107/4885GRIN3B 365/4885 |
| US-20030004157-A1 | Use of NK-1 receptor antagonists against benign prostatic hyperplasia | KLK3, TACR1, TACR2 | CYP1A2 1376/4885GRIN2D 2122/4885GRIN3B 1522/4885 |
“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.