Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 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 | |
|---|---|---|---|---|
| SCHEMBL10262712 | 1.00 | BACE1 (0.43) | BACE1HTR2CPDK1PDK2PDK3 | |
| SCHEMBL13030992 | 0.88 | MCHR1 (0.41) | HTR2CPDK1PDK2PDK3PDK4 | |
| SCHEMBL4734282 | 0.86 | BACE1 (0.41) | BACE1OPRK1BACE2MMP2MMP13 | |
| SCHEMBL5305865 | 0.86 | BACE1 (0.41) | BACE1OPRK1BACE2MMP2MMP13 | |
| SCHEMBL2435120 | 0.85 | PDK1 (0.40) | BACE1HTR2CPDK1PDK2PDK3 | |
| SCHEMBL14315421 | 0.85 | PDK1 (0.40) | BACE1HTR2CPDK1PDK2PDK3 | |
| SCHEMBL2819817 | 0.83 | KDM4E (0.40) | BACE1PDK1PDK2PDK3PDK4 | |
| SCHEMBL2819818 | 0.83 | KDM4E (0.40) | BACE1PDK1PDK2PDK3PDK4 | |
| SCHEMBL756120 | 0.82 | PDK1 (0.38) | BACE1HTR2CPDK1PDK2PDK3 | |
| SCHEMBL3494461 | 0.81 | BACE1 (0.37) | BACE1PDK1PDK2PDK3PDK4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8211904-B2 | Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease | Merck, Sharp & Dohme Corp. (US) | 2012-07-03 | — | — | US | disclosed |
| US-8211904-B2 | Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease | Merck, Sharp & Dohme Corp. (US) | 2012-07-03 | — | — | US | disclosed |
| EP-1910364-B1 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2012-03-21 | — | — | EP | disclosed |
| WO-2008030412-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2008-03-13 | — | — | WO | disclosed |
| US-20070021454-A1 | Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease | MERCK SHARP & DOHME LLC | 2007-01-25 | — | — | US | disclosed |
| US-20070021454-A1 | Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease | MERCK SHARP & DOHME LLC | 2007-01-25 | — | — | US | disclosed |
| WO-2007011810-A1 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2007-01-25 | — | — | 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-20070021454-A1 | Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease | BACE1, APP, PSEN1 | BACE1 1/4885HTR2C 2501/4885PDK1 1880/4885 |
“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.