Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.44 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4563251 | 1.00 | GPBAR1 (0.44) | GPBAR1CYSLTR1TAAR1GRM2GAA | |
| SCHEMBL12327116 | 0.86 | MAPK1 (0.47) | GPBAR1CYSLTR1TAAR1GRM2GAA | |
| SCHEMBL757234 | 0.84 | P2RX3 (0.49) | TAAR1GAAHSD17B10ALDH1A1HTT | |
| SCHEMBL3479629 | 0.83 | TAAR1 (0.42) | TAAR1MTNR1AMTNR1BALDH1A1HTT | |
| SCHEMBL4562863 | 0.83 | TAAR1 (0.42) | TAAR1MTNR1AMTNR1BALDH1A1HTT | |
| SCHEMBL11665507 | 0.83 | GPBAR1 (0.55) | GPBAR1CYSLTR1GRM2GAAHSD17B10 | |
| SCHEMBL758042 | 0.83 | TSHR (0.44) | GPBAR1CYSLTR1TAAR1GRM2GAA | |
| SCHEMBL13803187 | 0.83 | TSHR (0.44) | GPBAR1CYSLTR1TAAR1GRM2GAA | |
| SCHEMBL28121075 | 0.83 | TAAR1 (0.45) | GPBAR1CYSLTR1TAAR1GRM2GAA | |
| SCHEMBL27987188 | 0.83 | TAAR1 (0.45) | GPBAR1CYSLTR1TAAR1GRM2GAA |
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 8 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 |
| US-20100298342-A1 | Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease | MERCK & CO., INC. (US) | 2010-11-25 | — | — | 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-2007011833-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2007-01-25 | — | — | 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 |
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-20070021454-A1 | Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease | BACE1, APP, PSEN1 | GPBAR1 656/4885CYSLTR1 4018/4885TAAR1 1038/4885 |
| US-20100298342-A1 | Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease | BACE1, APP, PSEN1 | GPBAR1 656/4885CYSLTR1 4018/4885TAAR1 1038/4885 |
“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.