Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 15/20 | 0.84 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.54 |
| ▸ | MLNR | O43193 | 1/20 | 0.54 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | MC4R | P32245 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30788072 | 1.00 | CACNA2D1 (0.84) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL20292580 | 1.00 | CACNA2D1 (0.84) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL21742806 | 1.00 | CACNA2D1 (0.84) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL20292558 | 0.91 | CACNA2D1 (1.00) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL21810425 | 0.86 | CACNA2D1 (0.66) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL21810491 | 0.86 | CACNA2D1 (0.66) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL20329489 | 0.86 | CACNA2D1 (0.66) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL2600193 | 0.85 | CACNA2D1 (0.75) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL2600189 | 0.85 | CACNA2D1 (0.75) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL13476291 | 0.85 | CACNA2D1 (0.75) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR |
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 |
|---|---|---|---|---|---|---|---|
| US-10941138-B2 | Quinoline and isoquinoline derivatives for treating pain and pain related conditions | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2021-03-09 | — | — | US | claimed |
| US-20200087291-A1 | NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-03-19 | — | — | US | claimed |
| EP-3339304-A1 | QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | Laboratorios del Dr. Esteve, S.A. (ES) | 2018-06-27 | — | — | EP | claimed |
| US-10941138-B2 | Quinoline and isoquinoline derivatives for treating pain and pain related conditions | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2021-03-09 | — | — | US | disclosed |
| US-10941138-B2 | Quinoline and isoquinoline derivatives for treating pain and pain related conditions | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2021-03-09 | — | — | US | disclosed |
| US-20200087291-A1 | NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-03-19 | — | — | US | disclosed |
| WO-2018115064-A1 | NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2018-06-28 | — | — | WO | disclosed |
| EP-3339304-A1 | QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | Laboratorios del Dr. Esteve, S.A. (ES) | 2018-06-27 | — | — | EP | disclosed |
| EP-3339304-A1 | QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | Laboratorios del Dr. Esteve, S.A. (ES) | 2018-06-27 | — | — | EP | 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-10941138-B2 | Quinoline and isoquinoline derivatives for treating pain and pain related conditions | CACNA1B, SCN2A, CACNA1C | CACNA2D1 43/4885SLC6A2 15/4885SLC6A4 129/4885 |
| US-20200087291-A1 | NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | CACNA1B, SCN2A, CACNA1C | CACNA2D1 40/4885SLC6A2 17/4885SLC6A4 134/4885 |
“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.