Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.35 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.34 |
| ▸ | MDH2 | P40926 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5233691 | 1.00 | P2RX7 (0.37) | P2RX7TRPV1HTR1ADRD2ADRA1D | |
| SCHEMBL5234919 | 0.89 | KMT2A (0.41) | P2RX7HTR1ADRD2ADRA1DHTR2A | |
| SCHEMBL5239018 | 0.89 | TNKS (0.40) | P2RX7HTR1ADRD2ADRA1DHTR2A | |
| SCHEMBL5237680 | 0.84 | CCR4 (0.32) | P2RX7TRPV1HTR1ADRD2ADRA1D | |
| SCHEMBL5237327 | 0.80 | P2RX7 (0.37) | P2RX7TRPV1HTR1ADRD2ADRA1D | |
| Hydrochloric Acid SCHEMBL5233103 | 0.75 | SIGMAR1 (0.40) | HTR1ADRD2ADRA1DHTR2AADRA1A | |
| SCHEMBL5234403 | 0.66 | TDP1 (0.37) | P2RX7TDP1SIGMAR1MAPTLMNA | |
| SCHEMBL1626105 | 0.62 | POLB (0.49) | P2RX7HTR1AHTR2ATDP1ELANE | |
| SCHEMBL7104749 | 0.62 | ADAMTS5 (0.46) | — | |
| SCHEMBL9422803 | 0.62 | ADAMTS5 (0.46) | — |
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 | P2RX7 243/4885TRPV1 488/4885HTR1A 177/4885 |
“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.