Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.50 |
| ▸ | MGLL | Q99685 | 2/20 | 0.48 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.47 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | SCD | O00767 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3774202 | 0.85 | RBP4 (0.53) | KDM4EALDH1A1SMN1; SMN2PARP1MEN1 | |
| SCHEMBL3773954 | 0.85 | MEN1 (0.62) | CYP2C9CYP2C19MAPK14KDM4EALDH1A1 | |
| SCHEMBL3769769 | 0.85 | KDM4E (0.60) | KDM4EALDH1A1CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL3805269 | 0.84 | ALDH1A1 (0.47) | KDM4EALDH1A1CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL3767746 | 0.84 | HSD11B1 (0.51) | KDM4EALDH1A1MGLLTP53BP1L3MBTL3 | |
| SCHEMBL3770797 | 0.83 | L3MBTL3 (0.50) | KDM4EALDH1A1TP53BP1L3MBTL3L3MBTL1 | |
| SCHEMBL3767212 | 0.83 | HTT (0.56) | CYP2C9CYP2C19HTR2BMAPK14KDM4E | |
| SCHEMBL3773907 | 0.83 | KDM2B (0.53) | CYP2C9CYP2C19HTR2BMAPK14KDM4E | |
| SCHEMBL3762901 | 0.81 | TSHR (0.55) | KDM4EALDH1A1TP53BP1L3MBTL3L3MBTL1 | |
| SCHEMBL3780472 | 0.81 | ALDH1A1 (0.59) | KDM4EALDH1A1TP53BP1L3MBTL3L3MBTL1 |
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 5 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-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 | CYP2C9 2811/4885CYP2C19 1971/4885HTR2B 775/4885 |
“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.