Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 3/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | SLC11A2 | P49281 | 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 | |
|---|---|---|---|---|
| SCHEMBL7524335 | 0.85 | BACE1 (0.50) | BACE1CTSD | |
| SCHEMBL7524320 | 0.83 | BACE1 (0.41) | BACE1CTSDNOTUM | |
| SCHEMBL8266828 | 0.81 | BACE1 (0.44) | BACE1CTSD | |
| SCHEMBL8290207 | 0.81 | BACE1 (0.39) | BACE1CTSD | |
| SCHEMBL7531630 | 0.81 | BACE1 (0.56) | BACE1CTSD | |
| SCHEMBL7526262 | 0.81 | BACE1 (0.49) | BACE1 | |
| SCHEMBL7563728 | 0.81 | AR (0.39) | ARBACE1CTSDUSP2LMNA | |
| SCHEMBL7526245 | 0.80 | BACE1 (0.43) | BACE1 | |
| SCHEMBL7531592 | 0.80 | BACE1 (0.53) | BACE1CTSD | |
| SCHEMBL7536926 | 0.80 | BACE1 (0.53) | BACE1CTSD |
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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9416108-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-08-16 | — | — | US | disclosed |
| US-9416108-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-08-16 | — | — | US | disclosed |
| EP-2097387-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-05-04 | — | — | EP | disclosed |
| EP-2153832-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-09 | — | — | EP | disclosed |
| EP-2343069-B1 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME (US) | 2016-03-02 | — | — | EP | disclosed |
| US-20150105354-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | US | disclosed |
| US-20150105354-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | US | disclosed |
| US-8937093-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-01-20 | — | — | US | disclosed |
| US-8937093-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-01-20 | — | — | US | disclosed |
| US-8829036-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-09-09 | — | — | US | disclosed |
| US-7592348-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |
| US-7592348-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |
| EP-1838304-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORP (US) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008103351-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2008-08-28 | — | — | WO | disclosed |
| US-20080200445-A1 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. | 2008-08-21 | — | — | US | disclosed |
| US-20080200445-A1 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. | 2008-08-21 | — | — | US | disclosed |
| US-20070072852-A1 | 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents | SCHERING CORPORATION | 2007-03-29 | — | — | US | disclosed |
| US-20070072852-A1 | 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents | SCHERING CORPORATION | 2007-03-29 | — | — | US | disclosed |
| WO-2006065277-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2006-06-22 | — | — | WO | disclosed |
| WO-2005058311-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2005-06-30 | — | — | 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 (3 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-20070072852-A1 | 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents | CTSD, PRSS1, CTSZ | AR 4167/4885BACE1 20/4885CTSD 1/4885 |
| US-20080200445-A1 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | CTSZ, CTSL, PRSS1 | AR 4773/4885BACE1 41/4885CTSD 6/4885 |
| US-20150105354-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PRSS1, BCHE, CTSZ | AR 4223/4885BACE1 6/4885CTSD 11/4885 |
“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.