Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.45 |
| ▸ | STS | P08842 | 1/20 | 0.45 |
| ▸ | KLK7 | P49862 | 2/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | JAK1 | P23458 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13344505 | 1.00 | NR1H2 (0.45) | NR1H2NR1H3STSKLK7GPR119 | |
| SCHEMBL20700952 | 0.90 | NR1H2 (0.43) | NR1H2NR1H3STSKLK7MAPK1 | |
| SCHEMBL20700949 | 0.90 | NR1H2 (0.43) | NR1H2NR1H3STSKLK7MAPK1 | |
| SCHEMBL20700953 | 0.90 | NR1H2 (0.43) | NR1H2NR1H3STSKLK7MAPK1 | |
| SCHEMBL29897455 | 0.90 | NR1H2 (0.43) | NR1H2NR1H3STSKLK7MAPK1 | |
| SCHEMBL13369119 | 0.88 | ALDH1A1 (0.42) | STSKMT2AGAASMN1; SMN2LMNA | |
| SCHEMBL13344516 | 0.88 | ALDH1A1 (0.42) | STSKMT2AGAASMN1; SMN2LMNA | |
| SCHEMBL29997742 | 0.87 | NR1H2 (0.47) | NR1H2NR1H3STSKLK7GPR119 | |
| SCHEMBL25697955 | 0.87 | NR1H2 (0.47) | NR1H2NR1H3STSKLK7GPR119 | |
| SCHEMBL20701193 | 0.86 | USP30 (0.42) | NR1H2NR1H3STSKLK7GPR119 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7714021-B2 | Pyrrolidin-3-yl compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease | MERCK & CO., INC. (US) | 2010-05-11 | — | — | US | disclosed |
| US-20080287523-A1 | Pyrrolidin-3-Yl Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | MERCK SHARP & DOHME LLC | 2008-11-20 | — | — | US | disclosed |
| WO-2006002004-A1 | PYRROLIDIN-3-YL COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2006-01-05 | — | — | 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-20080287523-A1 | Pyrrolidin-3-Yl Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | BACE1, BACE2, APP | NR1H2 1711/4885NR1H3 1971/4885STS 652/4885 |
“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.