Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 13/20 | 0.65 |
| ▸ | HTR6 | P50406 | 4/20 | 0.59 |
| ▸ | DRD3 | P35462 | 1/20 | 0.59 |
| ▸ | AKR1C1 | Q04828 | 4/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5204332 | 0.84 | HTR6 (0.82) | AKR1C3HTR6DRD3AKR1C1 | |
| SCHEMBL5201623 | 0.83 | HTR6 (0.64) | AKR1C3HTR6DRD3AKR1C1AKR1C2 | |
| SCHEMBL5202880 | 0.83 | HTR6 (0.67) | AKR1C3HTR6DRD3AKR1C2ALDH1A1 | |
| SCHEMBL5201593 | 0.83 | HTR6 (0.64) | AKR1C3HTR6DRD3AKR1C1AKR1C2 | |
| Trifluoroacetic Acid SCHEMBL5205906 | 0.81 | HTR6 (0.69) | AKR1C3HTR6DRD3AKR1C1AKR1C2 | |
| SCHEMBL5204254 | 0.81 | HTR6 (0.62) | HTR6DRD3ALDH1A1 | |
| SCHEMBL5201591 | 0.80 | HTR6 (0.69) | AKR1C3HTR6DRD3AKR1C2LMNA | |
| SCHEMBL5200670 | 0.79 | HTR6 (0.66) | HTR6DRD3LMNAALDH1A1 | |
| SCHEMBL5201079 | 0.78 | HTR6 (0.66) | AKR1C3HTR6DRD3AKR1C2LMNA | |
| SCHEMBL5200667 | 0.78 | HTR6 (0.59) | AKR1C3HTR6DRD3AKR1C1AKR1C2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1601358-B1 | 2,5-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS | HOFFMANN LA ROCHE (CH) | 2007-12-19 | — | — | EP | claimed |
| US-7196088-B2 | Substituted tetrahydroisoquinolines and uses thereof | ROCHE PALO ALTO LLC (US) | 2007-03-27 | — | — | US | claimed |
| EP-1601358-A1 | 2,5- AND 2,6-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-07 | — | — | EP | claimed |
| US-20040180874-A1 | Substituted tetrahydroisoquinolines and uses thereof | ROCHE PALO ALTO LLC | 2004-09-16 | — | — | US | claimed |
| WO-2004078176-A1 | 2,5- AND 2,6-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-16 | — | — | WO | claimed |
| EP-1601358-B1 | 2,5-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS | HOFFMANN LA ROCHE (CH) | 2007-12-19 | — | — | EP | disclosed |
| EP-1601358-B1 | 2,5-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS | HOFFMANN LA ROCHE (CH) | 2007-12-19 | — | — | EP | disclosed |
| US-7196088-B2 | Substituted tetrahydroisoquinolines and uses thereof | ROCHE PALO ALTO LLC (US) | 2007-03-27 | — | — | US | disclosed |
| US-7196088-B2 | Substituted tetrahydroisoquinolines and uses thereof | ROCHE PALO ALTO LLC (US) | 2007-03-27 | — | — | US | disclosed |
| US-7196088-B2 | Substituted tetrahydroisoquinolines and uses thereof | ROCHE PALO ALTO LLC (US) | 2007-03-27 | — | — | US | disclosed |
| EP-1601358-A1 | 2,5- AND 2,6-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-07 | — | — | EP | disclosed |
| US-20040180874-A1 | Substituted tetrahydroisoquinolines and uses thereof | ROCHE PALO ALTO LLC | 2004-09-16 | — | — | US | disclosed |
| WO-2004078176-A1 | 2,5- AND 2,6-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-16 | — | — | 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-20040180874-A1 | Substituted tetrahydroisoquinolines and uses thereof | CYP3A5, CYP4X1, UGT1A1 | AKR1C3 516/4885HTR6 1252/4885DRD3 291/4885 |
“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.