Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | GPR183 | P32249 | 1/20 | 0.38 |
| ▸ | GCGR | P47871 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2897108 | 1.00 | NPC1 (0.52) | NPC1KDM4ERAB9ASMN1; SMN2HRH3 | |
| SCHEMBL2896739 | 0.84 | MEN1 (0.54) | KDM4ERAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL2896736 | 0.84 | MEN1 (0.54) | KDM4ERAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL2905093 | 0.83 | GPR183 (0.42) | NPC1RAB9AHRH3MAPTALDH1A1 | |
| SCHEMBL2905099 | 0.83 | GPR183 (0.42) | NPC1RAB9AHRH3MAPTALDH1A1 | |
| SCHEMBL2896867 | 0.80 | MEN1 (0.48) | HRH3ALDH1A1GPR183 | |
| SCHEMBL2896871 | 0.80 | MEN1 (0.48) | HRH3ALDH1A1GPR183 | |
| SCHEMBL4385602 | 0.78 | NPC1 (0.61) | NPC1KDM4ERAB9ASMN1; SMN2HRH3 | |
| SCHEMBL13636361 | 0.78 | NPC1 (0.61) | NPC1KDM4ERAB9ASMN1; SMN2HRH3 | |
| SCHEMBL2903152 | 0.77 | LMNA (0.48) | SMN1; SMN2MAPTALDH1A1L3MBTL1HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2010506-B1 | DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | HOFFMANN LA ROCHE (CH) | 2010-08-04 | — | — | EP | disclosed |
| US-7632829-B2 | Diazepan derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-12-15 | — | — | US | disclosed |
| EP-2010506-A1 | DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-Roche AG (CH) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007122103-A1 | DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-11-01 | — | — | WO | disclosed |
| US-20070249589-A1 | Novel diazepan derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2007-10-25 | — | — | 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-20070249589-A1 | Novel diazepan derivatives | CCR3, CCR1, CCR10 | NPC1 1598/4885KDM4E 3080/4885RAB9A 1942/4885 |
“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.