Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.52 |
| ▸ | PRCP | P42785 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1016537 | 0.82 | HRH3 (0.43) | HDAC3HDAC8NCOR2CYP2D6KCNH2 | |
| SCHEMBL3567692 | 0.81 | HRH3 (0.47) | HDAC8PRCPKCNH2HRH3 | |
| SCHEMBL1013796 | 0.80 | HRH3 (0.45) | HDAC3HDAC8NCOR2CYP2D6PRCP | |
| SCHEMBL1017238 | 0.80 | HRH3 (0.45) | HDAC3HDAC8NCOR2CYP2D6PRCP | |
| SCHEMBL1016391 | 0.80 | HDAC8 (0.60) | HDAC3HDAC8NCOR2CYP2D6PRCP | |
| SCHEMBL3559812 | 0.80 | HRH3 (0.46) | HDAC8KCNH2HRH3 | |
| SCHEMBL1603656 | 0.79 | HRH3 (0.46) | HDAC8PRCPKCNH2HRH3 | |
| SCHEMBL1016012 | 0.78 | HRH3 (0.50) | KCNH2HRH3 | |
| SCHEMBL6369576 | 0.74 | PRCP (0.69) | HDAC3HDAC8NCOR2CYP2D6PRCP | |
| SCHEMBL14420839 | 0.73 | ESR1 (0.38) | HDAC3HDAC8NCOR2CYP2D6KCNH2 |
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 10 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 |
| US-20110082130-A1 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | LIGAND PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | US | disclosed |
| 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-7795262-B2 | Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues | NEUROGEN CORPORATION (US) | 2010-09-14 | — | — | US | 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 |
| US-20070232591-A1 | Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues | NEUROGEN CORPORATION | 2007-10-04 | — | — | 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 | HDAC3 322/4885HDAC8 859/4885NCOR2 332/4885 |
| US-20110082130-A1 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | HRH3, HRH4, HRH1 | HDAC3 322/4885HDAC8 859/4885NCOR2 332/4885 |
“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.