Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.43 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3767749 | 0.98 | SIGMAR1 (0.51) | SIGMAR1HRH3OPRM1OPRL1KDM4E | |
| SCHEMBL3802741 | 0.97 | SIGMAR1 (0.50) | SIGMAR1HRH3OPRM1OPRL1KDM4E | |
| SCHEMBL12568764 | 0.82 | HRH3 (0.52) | SIGMAR1HRH3NPY5RAVPR1A | |
| SCHEMBL3774009 | 0.81 | SIGMAR1 (0.53) | SIGMAR1HRH3NPY5RHSD11B1CYP2D6 | |
| SCHEMBL3772647 | 0.80 | ALDH1A1 (0.44) | HRH3KDM4EALDH1A1PARP1 | |
| SCHEMBL3767757 | 0.80 | HRH3 (0.49) | HRH3KDM4EALDH1A1PARP1NPY5R | |
| SCHEMBL12568762 | 0.80 | HRH3 (0.52) | HRH3OPRM1OPRL1ALDH1A1NPY5R | |
| SCHEMBL12568763 | 0.79 | HRH3 (0.53) | HRH3OPRM1OPRL1NPY5R | |
| SCHEMBL13005666 | 0.78 | KDM4E (0.42) | HRH3KDM4EALDH1A1PARP1 | |
| SCHEMBL3763129 | 0.78 | OPRM1 (0.55) | HRH3OPRM1OPRL1KDM4EALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7851474-B2 | Dipiperazinyl ketones and related analogues | NEUROGEN CORPORATION (US) | 2010-12-14 | — | — | US | disclosed |
| US-7851474-B2 | Dipiperazinyl ketones and related analogues | NEUROGEN CORPORATION (US) | 2010-12-14 | — | — | US | disclosed |
| US-7851474-B2 | Dipiperazinyl ketones and related analogues | NEUROGEN CORPORATION (US) | 2010-12-14 | — | — | US | disclosed |
| US-20070049571-A1 | Dipiperazinyl ketones and related analogues | NEUROGEN CORPORATION | 2007-03-01 | — | — | US | disclosed |
| US-20070049571-A1 | Dipiperazinyl ketones and related analogues | NEUROGEN CORPORATION | 2007-03-01 | — | — | US | disclosed |
| US-20070049571-A1 | Dipiperazinyl ketones and related analogues | NEUROGEN CORPORATION | 2007-03-01 | — | — | US | disclosed |
| WO-2007016496-A2 | DIPIPERAZINYL KETONES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2007-02-08 | — | — | 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 (1 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-20070049571-A1 | Dipiperazinyl ketones and related analogues | HRH4, HRH3, HRH1 | SIGMAR1 505/4885HRH3 2/4885OPRM1 743/4885 |
“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.