Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 5/20 | 0.46 |
| ▸ | CDK9 | P50750 | 5/20 | 0.46 |
| ▸ | CASP7 | P55210 | 5/20 | 0.46 |
| ▸ | CDK1 | P06493 | 3/20 | 0.46 |
| ▸ | CDK2 | P24941 | 3/20 | 0.46 |
| ▸ | GSK3B | P49841 | 3/20 | 0.46 |
| ▸ | CDK7 | P50613 | 3/20 | 0.46 |
| ▸ | CDK12 | Q9NYV4 | 3/20 | 0.46 |
| ▸ | BMPR1B | O00238 | 10/20 | 0.40 |
| ▸ | BMPR1A | P36894 | 10/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 10/20 | 0.40 |
| ▸ | ACVRL1 | P37023 | 10/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 10/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL1603826 | 0.88 | TLR4 (0.45) | PARP1HRH3HTTNPSR1ALDH1A1 | |
| SCHEMBL1017055 | 0.88 | SMN1; SMN2 (0.40) | BMPR1BBMPR1AACVRL1ACVR1PARP1 | |
| SCHEMBL1604276 | 0.86 | PARP1 (0.37) | BMPR1AACVRL1ACVR1PARP1HRH3 | |
| SCHEMBL1017109 | 0.84 | ACACB (0.39) | PARP1HRH3HTTNPSR1ALDH1A1 | |
| SCHEMBL1603660 | 0.83 | BMPR1B (0.38) | BMPR1BACVRL1ACVR1PARP1HRH3 | |
| SCHEMBL1015085 | 0.83 | ALDH1A1 (0.47) | PARP1HRH3HTTNPSR1ALDH1A1 | |
| SCHEMBL1015259 | 0.83 | WNT1 (0.47) | GSK3BHRH3 | |
| SCHEMBL1018425 | 0.83 | HTT (0.41) | PARP1HRH3HTTNPSR1ALDH1A1 | |
| SCHEMBL1018543 | 0.82 | HRH3 (0.38) | PARP1HRH3HTTNPSR1ALDH1A1 | |
| SCHEMBL1017068 | 0.82 | HTT (0.42) | PARP1HRH3HTTNPSR1ALDH1A1 |
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-7795262-B2 | Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues | NEUROGEN CORPORATION (US) | 2010-09-14 | — | — | US | claimed |
| 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 | CASP3 3282/4885CDK9 3913/4885CASP7 3525/4885 |
| US-20110082130-A1 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | HRH3, HRH4, HRH1 | CASP3 3282/4885CDK9 3913/4885CASP7 3525/4885 |
“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.