Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18125942 | 1.00 | TP53 (0.40) | TP53LTA4HSLC7A5 | |
| SCHEMBL3715388 | 1.00 | TP53 (0.40) | TP53LTA4HSLC7A5 | |
| SCHEMBL667844 | 0.97 | TP53 (0.38) | TP53LTA4HSLC7A5 | |
| SCHEMBL27536530 | 0.83 | TP53 (0.30) | TP53 | |
| SCHEMBL27500348 | 0.83 | TP53 (0.30) | TP53 | |
| SCHEMBL12530263 | 0.80 | TP53 (0.38) | TP53LTA4HSLC7A5 | |
| SCHEMBL11156860 | 0.80 | TP53 (0.38) | TP53LTA4HSLC7A5 | |
| SCHEMBL11170894 | 0.80 | TP53 (0.38) | TP53LTA4HSLC7A5 | |
| SCHEMBL14645860 | 0.78 | ALDH1A1 (0.33) | TP53 | |
| SCHEMBL11166628 | 0.78 | LTA4H (0.39) | TP53LTA4HSLC7A5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010100589-A1 | TASTE MODIFYING COMPOUND | FIRMENICH SA (CH) | 2010-09-10 | — | — | WO | claimed |
| EP-3253752-B1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2023-08-16 | — | — | EP | disclosed |
| US-11053242-B2 | [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11BH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2021-07-06 | — | — | US | disclosed |
| US-20200262834-A1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. | 2020-08-20 | — | — | US | disclosed |
| US-9988382-B2 | [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido-[2,1-A]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2018-06-05 | — | — | US | disclosed |
| US-9988382-B2 | [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido-[2,1-A]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2018-06-05 | — | — | US | disclosed |
| US-20170349586-A1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. | 2017-12-07 | — | — | US | disclosed |
| US-20170349586-A1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. | 2017-12-07 | — | — | US | disclosed |
| US-9714246-B2 | [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2017-07-25 | — | — | US | disclosed |
| US-9714246-B2 | [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2017-07-25 | — | — | US | disclosed |
| US-20160289226-A1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. | 2016-10-06 | — | — | US | disclosed |
| US-20160289226-A1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. | 2016-10-06 | — | — | US | disclosed |
| WO-2010100589-A1 | TASTE MODIFYING COMPOUND | FIRMENICH SA (CH) | 2010-09-10 | — | — | 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 (4 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-20160289226-A1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | SLC18A2, SLC6A2, SLC18A1 | TP53 4100/4885LTA4H 3105/4885SLC7A5 106/4885 |
| US-20170349586-A1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | SLC18A2, SLC6A2, SLC18A1 | TP53 4100/4885LTA4H 3105/4885SLC7A5 106/4885 |
| US-11053242-B2 | [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11BH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto | SLC18A2, SLC6A2, SLC18A1 | TP53 4100/4885LTA4H 3105/4885SLC7A5 106/4885 |
| US-20200262834-A1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | SLC18A2, SLC6A2, SLC18A1 | TP53 4100/4885LTA4H 3105/4885SLC7A5 106/4885 |
“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.