Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 4/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL16748956 | 0.84 | SIGMAR1 (0.44) | PDE4ASIGMAR1NOX1CYP1A1CYP1A2 | |
| SCHEMBL16748957 | 0.77 | PDE4A (0.49) | PDE4AALOX5SIGMAR1NOX1CYP1A1 | |
| SCHEMBL16243152 | 0.76 | PDE4A (0.48) | PDE4AALOX5SIGMAR1NOX1CYP1A1 | |
| SCHEMBL16243149 | 0.76 | PDE4A (0.48) | PDE4AALOX5SIGMAR1NOX1CYP1A1 | |
| SCHEMBL20395648 | 0.74 | NPC1 (0.42) | PDE4ASIGMAR1NOX1CYP1A1CYP1A2 | |
| SCHEMBL13657697 | 0.74 | CA1 (0.38) | PDE4ASIGMAR1NOX1CYP1A1CYP1A2 | |
| SCHEMBL13658550 | 0.74 | PDE4A (0.40) | PDE4ASIGMAR1NOX1CYP1A1CYP1A2 | |
| SCHEMBL16238505 | 0.74 | NOS1 (0.48) | PDE4ASIGMAR1NOX1CYP1A1CYP1A2 | |
| SCHEMBL16341829 | 0.74 | PDE4A (0.37) | PDE4ASIGMAR1NOX1CYP1A1CYP1A2 | |
| SCHEMBL16698061 | 0.74 | ALDH1A1 (0.38) | PDE4ASIGMAR1NOX1CYP1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109526220-B | Tetrahydropyrimidine and tetrahydropyridino-diazepine compounds for use in the treatment of pain and pain related conditions | 埃斯特维制药股份公司 | 2021-12-21 | — | — | CN | disclosed |
| US-10590140-B2 | Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-03-17 | — | — | US | disclosed |
| EP-3452475-B1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS SA (ES) | 2020-02-26 | — | — | EP | disclosed |
| US-20190144455-A1 | TETRAHYDROPYRIMIDODIAZEPINE AND DIHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-05-16 | — | — | US | disclosed |
| CN-109526220-A | Tetrahydropyrimidinodiazepine and tetrahydropyridodiazepine compounds for the treatment of pain and pain-related conditions | 埃斯特维制药股份公司 | 2019-03-26 | — | — | CN | disclosed |
| EP-3452475-A1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-03-13 | — | — | EP | disclosed |
| US-20180212026-A1 | SURFACE MODIFIED DIAMOND MATERIALS AND METHODS OF MANUFACTURING | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2018-07-26 | — | — | US | disclosed |
| WO-2017191304-A1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-11-09 | — | — | WO | disclosed |
| CN-103534253-B | Amyloid is had to the compound of affinity | NIHON MEDI-PHYSICS CO.,LTD. (JP) | 2016-02-24 | — | — | CN | disclosed |
| CN-105130841-A | Preparation method of 3-iodophenyl azide compound | Hunan huateng pharmaceutical co ltd | 2015-12-09 | — | — | CN | disclosed |
| CN-105130841-A | Preparation method of 3-iodophenyl azide compound | Hunan huateng pharmaceutical co ltd | 2015-12-09 | — | — | CN | disclosed |
| CN-105001118-A | Method for preparing iodine-containing azido compound | Hunan huateng pharmaceutical co ltd | 2015-10-28 | — | — | CN | disclosed |
| CN-103534253-A | Novel compound having affinity for amyloid | NIHON MEDIPHYSICS CO LTD | 2014-01-22 | — | — | CN | 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-20190144455-A1 | TETRAHYDROPYRIMIDODIAZEPINE AND DIHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | CACNA1G, CACNA1B, CACNA1D | PDE4A 1052/4885ALOX5 2922/4885SIGMAR1 284/4885 |
| US-10590140-B2 | Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions | CACNA1G, CACNA1B, CACNA1D | PDE4A 1052/4885ALOX5 2922/4885SIGMAR1 284/4885 |
“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.