Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.67 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | RORB | Q92753 | 1/20 | 0.36 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.35 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.35 |
| ▸ | USP19 | O94966 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3739400 | 1.00 | BACE1 (0.67) | BACE1SLC6A9LMNARORCRORB | |
| SCHEMBL3737196 | 0.91 | BACE1 (0.75) | BACE1SLC6A9SCD5HDAC8HDAC6 | |
| SCHEMBL3736070 | 0.89 | BACE1 (0.81) | BACE1SCD5USP19HTR2AHTR2C | |
| SCHEMBL3741996 | 0.86 | BACE1 (0.66) | BACE1SCD5DGAT2EIF4A3USP19 | |
| SCHEMBL3741611 | 0.84 | BACE1 (0.77) | BACE1SCD5HDAC8HDAC6USP19 | |
| SCHEMBL3741614 | 0.84 | BACE1 (0.77) | BACE1SCD5HDAC8HDAC6USP19 | |
| SCHEMBL3731995 | 0.84 | BACE1 (0.67) | BACE1SCD5DGAT2USP19 | |
| SCHEMBL3734063 | 0.84 | BACE1 (0.79) | BACE1SCD5HDAC8HDAC6USP19 | |
| SCHEMBL4230395 | 0.84 | BACE1 (0.79) | BACE1SCD5HDAC8HDAC6USP19 | |
| SCHEMBL3736938 | 0.84 | BACE1 (0.79) | BACE1SCD5USP19HTR2C |
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 13 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| EP-2231558-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck Sharp & Dohme Corp. (US) | 2010-09-29 | — | — | EP | claimed |
| 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 | claimed |
| 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 |
| 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-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-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 |
| 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 |
| 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 |
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 1/4885SLC6A9 4759/4885LMNA 2107/4885 |
“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.