Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLPP | Q16740 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.41 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.41 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.41 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.39 |
| ▸ | TCF7 | P36402 | 2/20 | 0.39 |
| ▸ | BCL9 | O00512 | 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 | |
|---|---|---|---|---|
| SCHEMBL7094153 | 0.90 | L3MBTL1 (0.43) | CLPPMAPTMEN1KMT2AL3MBTL1 | |
| SCHEMBL5232940 | 0.89 | TACR2 (0.43) | CLPPMAPTMEN1KMT2ACXCR3 | |
| SCHEMBL5229554 | 0.89 | TACR2 (0.43) | CLPPMAPTMEN1KMT2ACXCR3 | |
| SCHEMBL5234092 | 0.80 | KMT2A (0.67) | MAPTTNFMEN1KMT2AL3MBTL1 | |
| SCHEMBL5230507 | 0.80 | MAPT (0.43) | MAPTMEN1KMT2AL3MBTL1HDAC1 | |
| SCHEMBL877505 | 0.78 | DDB1 (0.57) | CXCR3L3MBTL1HDAC1HDAC8HDAC6 | |
| SCHEMBL877537 | 0.78 | DDB1 (0.57) | CXCR3L3MBTL1HDAC1HDAC8HDAC6 | |
| SCHEMBL5232904 | 0.74 | TACR2 (0.39) | CXCR3HDAC1HDAC8HDAC6OPRK1 | |
| SCHEMBL7468758 | 0.73 | OPRK1 (0.65) | MAPTMEN1KMT2AL3MBTL1HDAC1 | |
| SCHEMBL874099 | 0.73 | OPRK1 (0.65) | MAPTMEN1KMT2AL3MBTL1HDAC1 |
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 | CLPP 4145/4885MAPT 4885/4885TNF 4833/4885 |
“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.