Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GHSR | Q92847 | 3/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ABL1 | P00519 | 3/20 | 0.37 |
| ▸ | BCR | P11274 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1017560 | 0.85 | MAPK1 (0.42) | GHSRCHRM2MAPK1ALDH1A1KDM4E | |
| SCHEMBL1017463 | 0.84 | MCHR1 (0.46) | ALDH1A1KDM4EGAAPKMHSD17B10 | |
| SCHEMBL1020116 | 0.83 | PRMT5 (0.43) | ALDH1A1KDM4EGAAPKMHSD17B10 | |
| SCHEMBL1603492 | 0.83 | WNT1 (0.46) | ALDH1A1KDM4EGAAPKMHSD17B10 | |
| SCHEMBL1017875 | 0.82 | ALDH1A1 (0.39) | GHSRMAPK1ALDH1A1KDM4EABL1 | |
| SCHEMBL1018399 | 0.82 | HRH3 (0.43) | MAPK1ALDH1A1KDM4EGAAPKM | |
| SCHEMBL1018594 | 0.82 | ALDH1A1 (0.37) | ALDH1A1KDM4EGAAPKMHSD17B10 | |
| SCHEMBL1016153 | 0.82 | ALDH1A1 (0.48) | ALDH1A1KDM4EGAAPKMHSD17B10 | |
| SCHEMBL1018075 | 0.81 | HRH3 (0.49) | MAPK1ALDH1A1KDM4EGAAPKM | |
| SCHEMBL12953867 | 0.81 | ALDH1A1 (0.37) | MAPK1ALDH1A1KDM4EGAAPKM |
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 14 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-20140121226-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2014-05-01 | — | — | 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 |
| 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 |
| 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 | GHSR 662/4885CHRM2 83/4885MAPK1 3703/4885 |
| US-20110082130-A1 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | HRH3, HRH4, HRH1 | GHSR 662/4885CHRM2 83/4885MAPK1 3703/4885 |
| US-20140121226-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, CXCR4, CXCR3 | GHSR 1320/4885CHRM2 90/4885MAPK1 3024/4885 |
“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.