Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | ADK | P55263 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.31 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16427491 | 0.73 | NISCH (0.37) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL81650 | 0.69 | NISCH (0.59) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL1205638 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1536214 | 0.67 | NISCH (0.56) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL28425230 | 0.67 | NISCH (0.56) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL7932131 | 0.67 | NISCH (0.46) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL2331357 | 0.67 | NISCH (0.38) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL6840424 | 0.64 | PIK3CD (0.37) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL22039514 | 0.64 | NISCH (0.39) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL6844699 | 0.64 | F2RL1 (0.49) | NISCHMTORADKALDH1A1MEN1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4649413-B2 | — | — | 2011-03-09 | — | — | JP | claimed |
| EP-1673078-A4 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO INC (US) | 2007-04-18 | — | — | EP | claimed |
| JP-2007507515-A | — | — | 2007-03-29 | — | — | JP | claimed |
| US-20060293380-A1 | Benzylether and benzylamino beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK SHARP & DOHME LLC | 2006-12-28 | — | — | US | claimed |
| EP-1673078-A2 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2006-06-28 | — | — | EP | claimed |
| WO-2005032471-A2 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2005-04-14 | — | — | WO | claimed |
| EP-1673078-B1 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO INC (US) | 2008-05-28 | — | — | EP | disclosed |
| EP-1673078-A4 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO INC (US) | 2007-04-18 | — | — | EP | disclosed |
| US-20060293380-A1 | Benzylether and benzylamino beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK SHARP & DOHME LLC | 2006-12-28 | — | — | US | disclosed |
| EP-1673078-A2 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2006-06-28 | — | — | EP | disclosed |
| WO-2005032471-A2 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2005-04-14 | — | — | 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-20060293380-A1 | Benzylether and benzylamino beta-secretase inhibitors for the treatment of alzheimer's disease | BACE1, BACE2, PSEN1 | NISCH 3647/4885MTOR 1742/4885ADK 3353/4885 |
“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.