Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.61 |
| ▸ | RORC | P51449 | 3/20 | 0.41 |
| ▸ | TACR1 | P25103 | 3/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3806886 | 1.00 | BACE1 (0.61) | BACE1RORCTACR1NR1H2NR1H3 | |
| SCHEMBL3806887 | 1.00 | BACE1 (0.61) | BACE1RORCTACR1NR1H2NR1H3 | |
| SCHEMBL13041185 | 0.80 | BACE1 (0.66) | BACE1TMEM97SIGMAR1 | |
| SCHEMBL3744409 | 0.79 | PDE4B (0.48) | RORCTACR1NR1H2PDE4B | |
| SCHEMBL13077736 | 0.79 | PDE4B (0.48) | RORCTACR1NR1H2PDE4B | |
| SCHEMBL30749206 | 0.78 | NR1H2 (0.53) | BACE1NR1H2NR1H3 | |
| SCHEMBL31556681 | 0.78 | NR1H2 (0.53) | BACE1NR1H2NR1H3 | |
| SCHEMBL13749174 | 0.77 | NR1H2 (0.49) | BACE1NR1H2NR1H3TMEM97SIGMAR1 | |
| SCHEMBL14829403 | 0.77 | NR1H2 (0.49) | BACE1NR1H2NR1H3TMEM97SIGMAR1 | |
| SCHEMBL14829637 | 0.77 | NR1H2 (0.49) | BACE1NR1H2NR1H3TMEM97SIGMAR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2231558-B1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2014-09-03 | — | — | EP | disclosed |
| US-8354545-B2 | 3,4-substituted pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease | Merck, Sharp & Dohme, Corp. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20100280009-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LLC | 2010-11-04 | — | — | US | disclosed |
| WO-2009078932-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2009-06-25 | — | — | 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-20100280009-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | BACE1, BACE2, PSEN1 | BACE1 1/4885RORC 2563/4885TACR1 985/4885 |
“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.