Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 9/20 | 0.77 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.67 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.64 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.64 |
| ▸ | LTA4H | P09960 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | SCN4A | P35499 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL250506 | 1.00 | S1PR5 (0.77) | S1PR5S1PR1S1PR4S1PR3LTA4H | |
| SCHEMBL16301219 | 1.00 | S1PR5 (0.77) | S1PR5S1PR1S1PR4S1PR3LTA4H | |
| Hydrochloric Acid SCHEMBL892740 | 0.98 | S1PR5 (0.75) | S1PR5S1PR1S1PR4S1PR3LTA4H | |
| Hydrochloric Acid SCHEMBL893221 | 0.98 | S1PR5 (0.75) | S1PR5S1PR1S1PR4S1PR3LTA4H | |
| Hydrochloric Acid SCHEMBL892739 | 0.98 | S1PR5 (0.75) | S1PR5S1PR1S1PR4S1PR3LTA4H | |
| Trifluoroacetic Acid SCHEMBL9038823 | 0.91 | S1PR5 (0.67) | S1PR5S1PR1S1PR4S1PR3LTA4H | |
| SCHEMBL18125935 | 0.90 | ALDH1A1 (0.71) | S1PR5S1PR1LTA4HMEN1KMT2A | |
| SCHEMBL3844177 | 0.90 | ALDH1A1 (0.71) | S1PR5S1PR1LTA4HMEN1KMT2A | |
| SCHEMBL27441592 | 0.90 | S1PR5 (0.64) | S1PR5S1PR1MEN1TSHRKMT2A | |
| SCHEMBL1519223 | 0.90 | MEN1 (0.69) | S1PR5S1PR1LTA4HMEN1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0491943-A4 | TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS | RORER INT HOLDINGS (US) | 1996-02-14 | — | — | EP | disclosed |
| EP-0491943-A1 | TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1992-07-01 | — | — | EP | disclosed |
| WO-1992000295-A1 | TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1992-01-09 | — | — | 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 | S1PR5 2602/4885S1PR1 2047/4885S1PR4 2711/4885 |
| 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 | S1PR5 2602/4885S1PR1 2047/4885S1PR4 2711/4885 |
| 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 | S1PR5 2602/4885S1PR1 2047/4885S1PR4 2711/4885 |
| 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 | S1PR5 2602/4885S1PR1 2047/4885S1PR4 2711/4885 |
“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.