Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 5/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 2/20 | 0.35 |
| ▸ | SRPK1 | Q96SB4 | 2/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | FPR1 | P21462 | 1/20 | 0.35 |
| ▸ | GPR183 | P32249 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | GLP1R | P43220 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5234199 | 0.87 | WDR5 (0.37) | HDAC1HDAC8HDAC6P2RX7TACR1 | |
| SCHEMBL5234192 | 0.87 | WDR5 (0.37) | HDAC1HDAC8HDAC6P2RX7TACR1 | |
| SCHEMBL5234746 | 0.85 | TACR1 (0.33) | TACR1WDR5 | |
| SCHEMBL5235531 | 0.85 | MAPT (0.42) | HDAC1HDAC8HDAC6HDAC2P2RX7 | |
| SCHEMBL5235528 | 0.85 | MAPT (0.42) | HDAC1HDAC8HDAC6HDAC2P2RX7 | |
| SCHEMBL5229738 | 0.80 | CNR2 (0.38) | TACR1 | |
| SCHEMBL5235425 | 0.75 | TACR1 (0.37) | TACR1 | |
| SCHEMBL5235420 | 0.75 | TACR1 (0.37) | TACR1 | |
| SCHEMBL5232486 | 0.75 | WDR5 (0.35) | TACR1WDR5SIRT2SIRT1 | |
| SCHEMBL5229625 | 0.72 | TACR1 (0.48) | HDAC1HDAC8HDAC6TACR1WDR5 |
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-6452001-B2 | 1,4-DIAZEPINE-2-ONE DERIVATIVES AS NEUROKININ ANTAGONIST | HOFFMANN-LA ROCHE INC. | 2002-09-17 | — | — | US | claimed |
| US-20020010174-A1 | Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | US | claimed |
| EP-1296961-B1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2007-02-14 | — | — | EP | disclosed |
| EP-1296961-A1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-02 | — | — | EP | disclosed |
| US-6452001-B2 | 1,4-DIAZEPINE-2-ONE DERIVATIVES AS NEUROKININ ANTAGONIST | HOFFMANN-LA ROCHE INC. | 2002-09-17 | — | — | US | disclosed |
| US-20020010174-A1 | Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | US | disclosed |
| WO-2001090083-A1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-29 | — | — | 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-20020010174-A1 | Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation | BDKRB2, NPSR1, BDKRB1 | HDAC1 530/4885HDAC8 752/4885HDAC6 1866/4885 |
“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.