Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | SMO | Q99835 | 2/20 | 0.38 |
| ▸ | TACR1 | P25103 | 6/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL6633751 | 0.86 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP3A4TACR1MEN1 | |
| SCHEMBL4670474 | 0.85 | CNR2 (0.51) | CYP1A2CYP2D6CYP3A4CNR2TACR1 | |
| SCHEMBL5564188 | 0.84 | TACR1 (0.38) | CYP3A4CNR2SMOTACR1ALDH1A1 | |
| SCHEMBL4374612 | 0.83 | TACR1 (0.43) | CYP3A4CNR2SMOTACR1ALDH1A1 | |
| SCHEMBL4374050 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP3A4CNR2SMO | |
| SCHEMBL12097112 | 0.81 | SMO (0.56) | CYP1A2CYP2D6SMOTACR1ALDH1A1 | |
| SCHEMBL905377 | 0.80 | TACR1 (0.45) | CYP1A2CNR2SMOTACR1GPBAR1 | |
| SCHEMBL12496947 | 0.76 | SMO (0.56) | SMOTACR1ALDH1A1GPBAR1 | |
| SCHEMBL17241145 | 0.73 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP3A4SMOTACR1 | |
| SCHEMBL12097580 | 0.72 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP3A4CYP2C19ALDH1A1 |
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 1378/4885CYP2D6 392/4885CYP3A4 353/4885 |
| US-20030004157-A1 | Use of NK-1 receptor antagonists against benign prostatic hyperplasia | KLK3, TACR1, TACR2 | CYP1A2 1376/4885CYP2D6 832/4885CYP3A4 1133/4885 |
“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.