Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | HTR2C | P28335 | 3/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 6/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.44 |
| ▸ | HRH2 | P25021 | 3/20 | 0.44 |
| ▸ | HRH1 | P35367 | 3/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16822476 | 1.00 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9AHTR2CCHRM1 | |
| SCHEMBL18191943 | 0.87 | PDK1 (0.53) | SMN1; SMN2NPC1RAB9AHTR2CCYP2C19 | |
| SCHEMBL18191944 | 0.87 | PDK1 (0.53) | SMN1; SMN2NPC1RAB9AHTR2CCYP2C19 | |
| SCHEMBL26089030 | 0.87 | PDK1 (0.53) | SMN1; SMN2NPC1RAB9AHTR2CCYP2C19 | |
| SCHEMBL29849418 | 0.86 | CHRM1 (0.60) | SMN1; SMN2NPC1RAB9AHTR2CCHRM1 | |
| SCHEMBL30524578 | 0.86 | CHRM1 (0.60) | SMN1; SMN2NPC1RAB9AHTR2CCHRM1 | |
| SCHEMBL15407246 | 0.85 | TMEM97 (0.56) | SMN1; SMN2NPC1RAB9AHTR2CCYP2C19 | |
| SCHEMBL16822479 | 0.82 | PDK1 (0.56) | SMN1; SMN2NPC1RAB9AHTR2CCYP2C19 | |
| SCHEMBL16822447 | 0.82 | PDK1 (0.56) | SMN1; SMN2NPC1RAB9AHTR2CCYP2C19 | |
| SCHEMBL25755723 | 0.81 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9AHTR2CCHRM1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3088401-A1 | (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]-4,7-DIOXO-8-({6-[3-(PIPERAZINE-1-YL)AZETIDINE-1-YL]PYRIDINE-2-YL}METHYL)-2-(PROP-2-EN-1-YL)-OCTAHYDRO-1H-PYRAZINO[2,1-c][1,2,4]TRIAZINE-1-CARBOXAMIDE COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2016-11-02 | — | — | EP | disclosed |
| US-9174998-B2 | (6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-({6-[3-(piperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2015-11-03 | — | — | US | disclosed |
| US-9174998-B2 | (6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-({6-[3-(piperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2015-11-03 | — | — | US | disclosed |
| US-9174998-B2 | (6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-({6-[3-(piperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2015-11-03 | — | — | US | disclosed |
| WO-2015098853-A1 | (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]-4,7-DIOXO-8-({6-[3-(PIPERAZINE-1-YL)AZETIDINE-1-YL]PYRIDINE-2-YL}METHYL)-2-(PROP-2-EN-1-YL)-OCTAHYDRO-1H-PYRAZINO[2,1-c][1,2,4]TRIAZINE-1-CARBOXAMIDE COMPOUND | エーザイ・アール・アンド・ディー・マネジメント株式会社 | 2015-07-02 | — | — | WO | disclosed |
| US-20150175615-A1 | (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound | PRISM PHARMA CO., LTD. (JP) | 2015-06-25 | — | — | US | disclosed |
| US-20150175615-A1 | (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound | PRISM PHARMA CO., LTD. (JP) | 2015-06-25 | — | — | US | disclosed |
| US-20150175615-A1 | (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound | PRISM PHARMA CO., LTD. (JP) | 2015-06-25 | — | — | 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-20150175615-A1 | (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound | WNT1, WNT3A, WNT3 | SMN1; SMN2 3205/4885NPC1 2275/4885RAB9A 1453/4885 |
“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.