Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | CCR3 | P51677 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16903463 | 0.91 | ALDH1A1 (0.59) | ACHEALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL5151714 | 0.88 | ACHE (0.53) | ACHECCR3ALDH1A1MEN1TSHR | |
| SCHEMBL16652939 | 0.88 | ACHE (0.53) | ACHECCR3ALDH1A1MEN1TSHR | |
| SCHEMBL5157885 | 0.88 | ACHE (0.53) | ACHECCR3ALDH1A1MEN1TSHR | |
| SCHEMBL16652937 | 0.88 | ACHE (0.53) | ACHECCR3ALDH1A1MEN1TSHR | |
| SCHEMBL16659920 | 0.88 | ACHE (0.53) | ACHECCR3ALDH1A1MEN1TSHR | |
| SCHEMBL1190369 | 0.85 | FUCA1 (0.53) | ACHEALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL6197152 | 0.85 | FUCA1 (0.53) | ACHEALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL1189221 | 0.85 | FUCA1 (0.53) | ACHEALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL7233069 | 0.85 | ACHE (0.50) | ACHECCR3ALDH1A1MEN1TSHR |
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 12 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 |
| US-6881733-B1 | Serotonergic benzofurans | ELI LILLY AND COMPANY (US) | 2005-04-19 | — | — | US | disclosed |
| EP-1204660-B1 | SEROTONERGIC BENZOTHIOPHENES | LILLY CO ELI (US) | 2004-10-20 | — | — | EP | disclosed |
| EP-1204659-B1 | SEROTONERGIC BENZOFURANS | LILLY CO ELI (US) | 2003-11-26 | — | — | EP | disclosed |
| US-6608078-B2 | Gramnegative bacteria | WOCKHARDT LIMITED (IN) | 2003-08-19 | — | — | US | disclosed |
| CN-1407982-A | Serotonergic benzofurans | LILLY CO ELI (US) | 2003-04-02 | — | — | CN | disclosed |
| US-20020165227-A1 | Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment | WOCKHARDT RESEARCH CENTER | 2002-11-07 | — | — | US | disclosed |
| WO-2001085728-A2 | ANTIBACTERIAL CHIRAL 8-(SUBSTITUTED PIPERIDINO)-BENZO [I, J] QUINOLIZINES, PROCESSES, COMPOSITIONS AND METHODS OF TREATMENT | WOCKHARDT LIMITED (IN) | 2001-11-15 | — | — | 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 (2 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 | ACHE 2686/4885CCR3 1/4885ALDH1A1 2871/4885 |
| US-20020165227-A1 | Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment | ALPI, POLR1C, POLI | ACHE 2557/4885CCR3 1104/4885ALDH1A1 2656/4885 |
“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.