Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 15/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7522502 | 0.86 | ALDH1A1 (0.44) | ALDH1A1KDM4EHTTTDP1MAPT | |
| SCHEMBL7527368 | 0.83 | ACHE (0.44) | — | |
| SCHEMBL7520913 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MAPTCRHBPCRHR2TSHR | |
| SCHEMBL8178551 | 0.81 | ALDH1A1 (0.51) | ALDH1A1KDM4EMAPTCRHBPCRHR2 | |
| SCHEMBL7527414 | 0.79 | CCR8 (0.45) | ALDH1A1KDM4EHTTTDP1 | |
| SCHEMBL7525188 | 0.79 | ALDH1A1 (0.47) | ALDH1A1KDM4EHTTTDP1MAPT | |
| SCHEMBL7527658 | 0.78 | ALDH1A1 (0.43) | ALDH1A1KDM4EHTTTDP1MAPT | |
| SCHEMBL8178147 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KDM4EHTTMAPTCRHBP | |
| SCHEMBL7526875 | 0.76 | ALDH1A1 (0.45) | ALDH1A1MAPTCRHBPCRHR2TSHR | |
| SCHEMBL7509910 | 0.76 | ALDH1A1 (0.36) | ALDH1A1MAPTCRHBPCRHR2 |
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 53 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-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-8778980-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-07-15 | — | — | 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 | ALDH1A1 4523/4885KDM4E 4459/4885HTT 844/4885 |
| 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 | ALDH1A1 4571/4885KDM4E 4797/4885HTT 715/4885 |
| US-20150105354-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PRSS1, BCHE, CTSZ | ALDH1A1 4628/4885KDM4E 4667/4885HTT 1558/4885 |
“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.