Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.39 |
| ▸ | MTOR | P42345 | 4/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.38 |
| ▸ | CPT2 | P23786 | 1/20 | 0.37 |
| ▸ | CPT1A | P50416 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1017168 | 0.82 | ALDH1A1 (0.46) | TSHRALDH1A1KMT2AHRH3ACHE | |
| SCHEMBL1020898 | 0.81 | HRH3 (0.42) | KDM1AMAOATSHRALDH1A1KMT2A | |
| SCHEMBL1016990 | 0.79 | HRH3 (0.43) | KDM1AMAOAPIK3CAMTORHRH3 | |
| SCHEMBL968644 | 0.79 | PIK3CA (0.37) | KDM1AMAOATSHRALDH1A1KMT2A | |
| SCHEMBL1018137 | 0.78 | HRH3 (0.41) | ALDH1A1KMT2AHRH3KDM4E | |
| SCHEMBL1017884 | 0.78 | KDM4E (0.43) | ALDH1A1KMT2AHRH3KCNH2KDM4E | |
| SCHEMBL1015267 | 0.77 | KDM4E (0.43) | ALDH1A1KMT2AHRH3ACHEHSD17B10 | |
| SCHEMBL1015720 | 0.76 | KDM4E (0.41) | ALDH1A1KMT2AHRH3KCNH2KDM4E | |
| SCHEMBL1017730 | 0.76 | CFTR (0.40) | ALDH1A1KMT2AHRH3KDM4E | |
| SCHEMBL1014671 | 0.75 | HRH3 (0.43) | HRH3KCNH2IRAK4 |
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 11 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 |
| 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 |
| WO-2007106349-A2 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2007-09-20 | — | — | 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 (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 | KDM1A 1835/4885MAOA 689/4885TSHR 314/4885 |
| US-20110082130-A1 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | HRH3, HRH4, HRH1 | KDM1A 1835/4885MAOA 689/4885TSHR 314/4885 |
“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.