Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10605971 | 0.84 | CYP2D6 (0.43) | CYP2D6DRD2DRD4OPRM1DRD3 | |
| SCHEMBL26688903 | 0.80 | CUL4A (0.33) | CYP2D6LMNACHRM1ALDH1A1MAPT | |
| SCHEMBL3622346 | 0.80 | CYP19A1 (0.43) | NPSR1SLC6A2KIF11 | |
| SCHEMBL3622348 | 0.80 | CYP19A1 (0.43) | NPSR1SLC6A2KIF11 | |
| SCHEMBL6829587 | 0.80 | KCNN4 (0.34) | KCNN4ALDH1A1MAPT | |
| SCHEMBL2090899 | 0.79 | KCNN4 (0.41) | CYP2D6DRD2OPRM1DRD3KCNN4 | |
| SCHEMBL2090896 | 0.79 | KCNN4 (0.41) | CYP2D6DRD2OPRM1DRD3KCNN4 | |
| SCHEMBL10587153 | 0.78 | ATM (0.50) | CYP2D6DRD2DRD4OPRM1DRD3 | |
| SCHEMBL7345657 | 0.76 | HTT (0.47) | CYP2D6DRD2DRD4OPRM1DRD3 | |
| SCHEMBL3979738 | 0.74 | CYP2D6 (0.58) | CYP2D6DRD2DRD4OPRM1DRD3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6624175-B2 | 4-heterocyclic substituted quinoline derivative treats disorderes associated with pathogenic neurokinin-3 receptor, such as anxiety, depression, schizophrenia, obesity, chronic pulmonary obstructive disorder or pain | NEUROGEN CORPORATION | 2003-09-23 | — | — | US | disclosed |
| EP-1165542-B1 | 4-SUBSTITUTED QUINOLINE DERIVATIVES AS NK-3 AND/OR GABA(A) RECEPTOR LIGANDS | NEUROGEN CORP (US) | 2003-08-20 | — | — | EP | disclosed |
| US-20020198232-A1 | 4-substituted quinoline derivatives | NEUROGEN CORPORATION (US) | 2002-12-26 | — | — | US | disclosed |
| WO-2000058303-A9 | 4-SUBSTITUTED QUINOLINE DERIVATIVES AS NK-3 AND/OR GABA(A) RECEPTOR LIGANDS | NEUROGEN CORP (US) | 2002-12-19 | — | — | WO | disclosed |
| US-6413982-B1 | 5-ETHYL-5-PHENYL-2-(3-METHOXY-2-PHENYLQUINOLIN-4-YL)-IMIDAZO -LINE; CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISEASES AND DISORDERS; BINDS WITH HIGH AFFINITY TO NEUROKININ-3 (NK-3) AND/OR GAMMA-AMINOBUTYRIC ACID RECEPTORS; SYNERGISTIC | NEUROGEN CORPORATION | 2002-07-02 | — | — | US | disclosed |
| EP-1165542-A1 | 4-SUBSTITUTED QUINOLINE DERIVATIVES AS NK-3 AND/OR GABA(A) RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000058303-A1 | 4-SUBSTITUTED QUINOLINE DERIVATIVES AS NK-3 AND/OR GABA(A) RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2000-10-05 | — | — | 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-20020198232-A1 | 4-substituted quinoline derivatives | GABRA3, GABRB3, GABRR3 | CYP2D6 565/4885DRD2 376/4885DRD4 533/4885 |
“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.