Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 1/20 | 0.56 |
| ▸ | PNMT | P11086 | 4/20 | 0.52 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31174274 | 0.94 | F2 (0.53) | MELKPNMTSLC2A1 | |
| SCHEMBL31174276 | 0.94 | F2 (0.53) | MELKPNMTSLC2A1 | |
| Trifluoroacetic Acid SCHEMBL1077606 | 0.91 | MELK (0.51) | MELKPNMTSLC2A1 | |
| SCHEMBL29008566 | 0.87 | CRBN (0.47) | — | |
| SCHEMBL29903194 | 0.86 | MELK (0.57) | MELKPNMTSLC2A1ADRA2AADRA2B | |
| SCHEMBL1029100 | 0.86 | MELK (0.57) | MELKPNMTSLC2A1ADRA2AADRA2B | |
| SCHEMBL1083199 | 0.85 | MELK (0.54) | MELKPNMTSLC2A1 | |
| SCHEMBL3248558 | 0.82 | MELK (0.56) | MELKPNMTSLC2A1ADRA2AADRA2B | |
| SCHEMBL30745003 | 0.81 | MELK (0.52) | MELKPNMTSLC2A1ADRA2AADRA2B | |
| SCHEMBL308122 | 0.81 | MELK (0.52) | MELKPNMTSLC2A1ADRA2AADRA2B |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110275800-A1 | 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-10 | — | — | 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 |
| 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 |
| WO-2009126675-A1 | 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-15 | — | — | WO | disclosed |
| EP-1998620-A4 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | NEUROGEN CORP (US) | 2009-09-02 | — | — | EP | disclosed |
| EP-1998620-A2 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | Neurogen Corporation (US) | 2008-12-10 | — | — | EP | 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 |
| WO-2007106349-A2 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2007-09-20 | — | — | WO | 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 (3 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 | MELK 2661/4885PNMT 142/4885SLC2A1 2051/4885 |
| US-20110082130-A1 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | HRH3, HRH4, HRH1 | MELK 2661/4885PNMT 142/4885SLC2A1 2051/4885 |
| US-20110275800-A1 | 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 | CCR10, CCR1, CCR4 | MELK 3677/4885PNMT 3410/4885SLC2A1 2897/4885 |
“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.