Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | PRNP | P04156 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL7081987 | 0.90 | ALDH1A1 (0.59) | ALDH1A1NPSR1RXFP1KDM4EPRNP | |
| Quinoline SCHEMBL7081988 | 0.90 | ALDH1A1 (0.59) | ALDH1A1NPSR1RXFP1KDM4EPRNP | |
| Valine SCHEMBL2205229 | 0.85 | SLC7A5 (0.50) | ALDH1A1SLC7A5KDM4ESMN1; SMN2LMNA | |
| Quinoline SCHEMBL5874375 | 0.85 | ALDH1A1 (0.61) | ALDH1A1NPSR1RXFP1KDM4EPRNP | |
| Quinoline SCHEMBL27820159 | 0.85 | ALDH1A1 (0.61) | ALDH1A1NPSR1RXFP1KDM4EPRNP | |
| Quinoline SCHEMBL5874361 | 0.85 | ALDH1A1 (0.61) | ALDH1A1NPSR1RXFP1KDM4EPRNP | |
| Phenazine SCHEMBL28881744 | 0.84 | SLC7A5 (0.58) | ALDH1A1SLC7A5NPSR1RXFP1KDM4E | |
| Quinoline SCHEMBL4265433 | 0.83 | ALDH1A1 (0.68) | ALDH1A1KDM4ESMN1; SMN2LMNAALOX15 | |
| Quinoline SCHEMBL11151476 | 0.82 | ALDH1A1 (0.74) | ALDH1A1KDM4ESMN1; SMN2LMNAALOX15 | |
| Quinoline SCHEMBL2201840 | 0.82 | ALDH1A1 (0.74) | ALDH1A1KDM4ESMN1; SMN2PABPC1ALOX15 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008130319-A2 | NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN | ASTRAZENECA AB (SE) | 2008-10-30 | — | — | WO | disclosed |
| WO-2008130321-A2 | NOVEL N-TETRAHYDRONAPHTALENE OR 5-HETEROCYCLYL-CHROMANE OR 8-HETEROCYCLYL-TETRAHYDRONAPHTALENE DERIVATIVES FOR THE TREATMENT OF PAIN | ASTRAZENECA AB (SE) | 2008-10-30 | — | — | WO | disclosed |
| CN-100379735-C | 1,2,3,4,7, 8-hexahydro-6H- [1,4] diazepino [6,7, 1-IJ ] quinoline derivatives as antipsychotic and antiobesity agents | WYETH CORP (US) | 2008-04-09 | — | — | CN | disclosed |
| CN-1955180-A | 1,2,3,4,7,8-hexahydro-6H-[1,4]diazepino[6,7,1-IJ] quinoline derivatives as antipsychotic and antiobesity agents | WYETH CORP (US) | 2007-05-02 | — | — | CN | disclosed |
| EP-1497294-B1 | 1,2,3,4,7,8-HEXAHYDRO-6 i H /i - 1,4 DIAZEPINO 6,7 ,1- i 1J /i QUINOLINE DERIVATIVES AS ANTIPSYCHOTIC AND ANTI OBESITY AGENTS | WYETH CORP (US) | 2007-03-28 | — | — | EP | disclosed |
| US-20060154920-A1 | 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij] quinoline derivatives as antipsychotic and antiobesity agents | WYETH (US) | 2006-07-13 | — | — | US | disclosed |
| US-7071185-B2 | 1,2,3,4,7,8-hexahydro-6H-[1,4]diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents | WYETH (US) | 2006-07-04 | — | — | US | disclosed |
| CN-1662534-A | 1,2,3,4,7, 8-hexahydro-6H- [1,4] diazepino [6,7, 1-IJ ] quinoline derivatives as antipsychotic and antiobesity agents | WYETH CORP (US) | 2005-08-31 | — | — | CN | disclosed |
| EP-1497294-A1 | 1,2,3,4,7,8-HEXAHYDRO-6 i H /i - 1,4 DIAZEPINO 6,7 ,1- i 1J /i QUINOLINE DERIVATIVES AS ANTIPSYCHOTIC AND ANTI OBESITY AGENTS | Wyeth (US) | 2005-01-19 | — | — | EP | disclosed |
| US-20040019040-A1 | 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents | WYETH | 2004-01-29 | — | — | US | disclosed |
| WO-2003091251-A1 | 1,2,3,4,7,8-HEXAHYDRO-6H-[1,4]DIAZEPINO[6,7,1-1J]QUINOLINE DERIVATIVES AS ANTIPSYCHOTIC AND ANTIOBESITY AGENTS | WYETH (US) | 2003-11-06 | — | — | WO | disclosed |
| US-5576338-A | ANTIALLERGENS, ANTIHISTAMINES, ANTIINFLAMMATORY AGENTS AND CYTOPROTECTIVE AGENTS FOR CARDIOVASCULAR DISORDERS | MERCK FROSST CANADA, INC. (CA) | 1996-11-19 | — | — | US | 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-20060154920-A1 | 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij] quinoline derivatives as antipsychotic and antiobesity agents | HTR2C, HTR7, HTR1A | ALDH1A1 954/4885SLC7A5 757/4885NPSR1 128/4885 |
| US-20040019040-A1 | 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents | HTR2C, HTR1A, HTR7 | ALDH1A1 852/4885SLC7A5 704/4885NPSR1 181/4885 |
“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.