Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 6/20 | 0.41 |
| ▸ | PPARD | Q03181 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | OXTR | P30559 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3405561 | 0.90 | ALDH1A1 (0.53) | NPC1ALDH1A1GAACHRM4CNR1 | |
| SCHEMBL3401794 | 0.84 | NPC1 (0.52) | NPC1ALDH1A1GAACHRM4CNR1 | |
| SCHEMBL3404901 | 0.81 | SCN5A (0.58) | NPC1ALDH1A1GAACNR1HRH3 | |
| SCHEMBL3398944 | 0.81 | ALDH1A1 (0.45) | NPC1ALDH1A1GAACHRM4CNR1 | |
| SCHEMBL3400395 | 0.79 | CNR1 (0.52) | ALDH1A1CNR1HRH3PPARAPPARD | |
| SCHEMBL3404145 | 0.79 | ALDH1A1 (0.60) | NPC1ALDH1A1CNR1PPARAMEN1 | |
| SCHEMBL3767394 | 0.79 | HRH3 (0.56) | ALDH1A1GAAHRH3KDM4EMEN1 | |
| SCHEMBL3403718 | 0.79 | CNR1 (0.54) | ALDH1A1GAACNR1HRH3KDM4E | |
| SCHEMBL3403938 | 0.79 | CNR1 (0.51) | ALDH1A1GAACNR1HRH3KDM4E | |
| SCHEMBL3402224 | 0.78 | HRH3 (0.48) | ALDH1A1GAACNR1HRH3PPARA |
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 | NPC1 3462/4885ALDH1A1 1210/4885GAA 2143/4885 |
“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.