Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.53 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL8244896 | 0.95 | BACE1 (0.51) | BACE1BACE2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8240801 | 0.87 | BACE1 (0.51) | BACE1BACE2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7535325 | 0.81 | BACE1 (0.61) | BACE1BACE2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2957375 | 0.77 | BACE1 (0.52) | BACE1BACE2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14154492 | 0.77 | BACE1 (0.49) | BACE1BACE2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8247930 | 0.77 | BACE1 (0.49) | BACE1BACE2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2957372 | 0.77 | BACE1 (0.52) | BACE1BACE2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8245196 | 0.77 | BACE1 (0.36) | BACE1 | |
| SCHEMBL7601483 | 0.76 | BACE1 (0.48) | BACE1BACE2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8244900 | 0.76 | BACE1 (0.45) | BACE1BACE2CYP3A4CYP2D6CYP2C9 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9382242-B2 | Preparation and use of compounds as protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |
| US-9382242-B2 | Preparation and use of compounds as protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |
| US-20140206715-A1 | PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS | PHARMACOPEIA, LLC | 2014-07-24 | — | — | US | disclosed |
| US-20140206715-A1 | PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS | PHARMACOPEIA, LLC | 2014-07-24 | — | — | US | disclosed |
| US-8722708-B2 | Substituted isoindolines as aspartyl protease inhibitors | Merck Sharp & Dohme Inc. (US) | 2014-05-13 | — | — | US | disclosed |
| US-8722708-B2 | Substituted isoindolines as aspartyl protease inhibitors | Merck Sharp & Dohme Inc. (US) | 2014-05-13 | — | — | US | disclosed |
| EP-2345411-B1 | Heterocyclic aspartyl protease inhibitors, preparation and use thereof | MERCK SHARP & DOHME (US) | 2013-10-02 | — | — | EP | disclosed |
| EP-1896032-B1 | THE PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2012-10-31 | — | — | EP | disclosed |
| EP-2345411-A1 | Heterocyclic aspartyl protease inhibitors, preparation and use thereof | Schering Corporation (US) | 2011-07-20 | — | — | EP | disclosed |
| US-20080176868-A1 | pyrrole/pyrimidine-2-imine fused ring derivatives; aspartyl proteases, beta-secretase inhibitor; cardiovascular diseases, cognitive and neurodegenerative diseases such as Alzheimer's, Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes | SCHERING CORPORATION | 2008-07-24 | — | — | US | disclosed |
| US-20080176868-A1 | pyrrole/pyrimidine-2-imine fused ring derivatives; aspartyl proteases, beta-secretase inhibitor; cardiovascular diseases, cognitive and neurodegenerative diseases such as Alzheimer's, Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes | SCHERING CORPORATION | 2008-07-24 | — | — | US | disclosed |
| WO-2006138265-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS, PREPARATION AND USE THEREOF | SCHERING CORPORATION (US) | 2006-12-28 | — | — | 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 (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-20140206715-A1 | PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS | CTRL, BACE1, PRSS1 | BACE1 2/4885BACE2 31/4885CYP3A4 777/4885 |
| US-20080176868-A1 | pyrrole/pyrimidine-2-imine fused ring derivatives; aspartyl proteases, beta-secretase inhibitor; cardiovascular diseases, cognitive and neurodegenerative diseases such as Alzheimer's, Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes | BACE1, CTSL, CPN1 | BACE1 1/4885BACE2 9/4885CYP3A4 2190/4885 |
“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.