Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 2/20 | 0.31 |
| ▸ | CDK2 | P24941 | 2/20 | 0.31 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | JAK1 | P23458 | 1/20 | 0.30 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.30 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.30 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12707159 | 1.00 | ADRA1A (0.36) | ADRA1ADRD3PDK1PDK2HSD11B1 | |
| SCHEMBL12952827 | 0.90 | ADRA1A (0.33) | ADRA1ADRD3HSD11B1CDK4CDK2 | |
| SCHEMBL12707157 | 0.87 | ADRA1A (0.36) | ADRA1AHRH3ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL1018562 | 0.87 | ADRA1A (0.36) | ADRA1AHRH3ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL1018305 | 0.86 | HRH3 (0.38) | ADRA1ADRD3HRH3ALDH1A1 | |
| SCHEMBL1017466 | 0.83 | ALDH1A1 (0.34) | HRH3ALDH1A1PDCD1CD274GAA | |
| SCHEMBL12707139 | 0.83 | ALDH1A1 (0.34) | HRH3ALDH1A1PDCD1CD274GAA | |
| SCHEMBL1016458 | 0.81 | DRD3 (0.36) | ADRA1ADRD3HRH3ALDH1A1TLR9 | |
| SCHEMBL1017308 | 0.79 | CHRM2 (0.34) | CDK4CDK2CDK6HRH3ALDH1A1 | |
| SCHEMBL12707147 | 0.79 | CHRM2 (0.34) | CDK4CDK2CDK6HRH3ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110082130-A1 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | LIGAND PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | US | disclosed |
| EP-1998620-B1 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | NEUROGEN CORP (US) | 2011-01-12 | — | — | EP | disclosed |
| US-7795262-B2 | Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues | NEUROGEN CORPORATION (US) | 2010-09-14 | — | — | US | disclosed |
| US-20070232591-A1 | Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues | NEUROGEN CORPORATION | 2007-10-04 | — | — | 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-20070232591-A1 | Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues | HRH3, HRH4, HRH1 | ADRA1A 381/4885DRD3 465/4885PDK1 1536/4885 |
| US-20110082130-A1 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | HRH3, HRH4, HRH1 | ADRA1A 381/4885DRD3 465/4885PDK1 1536/4885 |
“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.