Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3776429 | 0.90 | GAA (0.61) | NPSR1CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL3767792 | 0.88 | KDM4E (0.59) | NPSR1CYP2D6CYP2C19KDM4EKMT2A | |
| SCHEMBL3774181 | 0.87 | KDM4E (0.78) | KDM4EALDH1A1LMNAKMT2ASMN1; SMN2 | |
| SCHEMBL14608986 | 0.85 | NPSR1 (0.60) | NPSR1CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL3767950 | 0.84 | SMN1; SMN2 (0.70) | CYP2D6CYP2C19KDM4EALDH1A1LMNA | |
| SCHEMBL3779219 | 0.83 | POLB (0.60) | NPSR1CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL3773808 | 0.83 | SMN1; SMN2 (0.63) | NPSR1CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL3767766 | 0.83 | ACHE (0.68) | KDM4EALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL3769014 | 0.82 | KDM4E (0.55) | NPSR1CYP2D6CYP2C19KDM4ESMN1; SMN2 | |
| SCHEMBL3774399 | 0.82 | POLB (0.62) | NPSR1CYP2D6CYP2C19KDM4EALDH1A1 |
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 6 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 |
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 | NPSR1 357/4885CYP2D6 1492/4885CYP2C19 1971/4885 |
“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.