Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 4/20 | 0.37 |
| ▸ | DRD3 | P35462 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | POLQ | O75417 | 1/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2966770 | 0.78 | ALDH1A1 (0.53) | HDAC6GRM5DRD2DRD3KCNH2 | |
| SCHEMBL2922980 | 0.78 | HDAC6 (0.42) | HDAC6GRM5PIK3CDPIK3CAPIK3CB | |
| SCHEMBL2956537 | 0.77 | GRM5 (0.41) | HDAC6GRM5PIK3CDPIK3CAPIK3CB | |
| SCHEMBL14557023 | 0.75 | LMNA (0.42) | HSD11B1DRD2 | |
| SCHEMBL17725187 | 0.75 | BRD4 (0.40) | AOC3DRD2DRD3KCNH2CREBBP | |
| SCHEMBL2916384 | 0.75 | HDAC6 (0.39) | HDAC6GRM5PIK3CDPIK3CAPIK3CB | |
| SCHEMBL14557028 | 0.74 | HSD11B1 (0.34) | HSD11B1DRD2 | |
| SCHEMBL17725193 | 0.73 | MAPK13 (0.42) | HDAC6GRM5DRD2DRD3KCNH2 | |
| SCHEMBL17725239 | 0.72 | MAPK1 (0.39) | HSD11B1 | |
| SCHEMBL23465973 | 0.71 | NPC1 (0.62) | HDAC6DRD2DRD3KCNH2CHRM1 |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2079730-A1 | MGLUR5 MODULATORS | Astra Zeneca AB (SE) | 2009-07-22 | — | — | EP | claimed |
| US-20080125436-A1 | 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting | ASTRAZENECA AB (SE) | 2008-05-29 | — | — | US | claimed |
| WO-2008041075-A1 | MGLUR5 MODULATORS | ASTRAZENECA AB (SE) | 2008-04-10 | — | — | WO | claimed |
| EP-3212637-B1 | DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS | INDIVIOR UK LTD (GB) | 2021-06-02 | — | — | EP | disclosed |
| EP-3212637-B1 | DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS | INDIVIOR UK LTD (GB) | 2021-06-02 | — | — | EP | disclosed |
| EP-3331886-B1 | DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY | INDIVIOR UK LTD (GB) | 2020-07-15 | — | — | EP | disclosed |
| EP-3331886-B1 | DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY | INDIVIOR UK LTD (GB) | 2020-07-15 | — | — | EP | disclosed |
| US-10654842-B2 | Dopamine D3 receptor antagonist compounds | INDIVIOR UK LIMITED (GB) | 2020-05-19 | — | — | US | disclosed |
| US-10654842-B2 | Dopamine D3 receptor antagonist compounds | INDIVIOR UK LIMITED (GB) | 2020-05-19 | — | — | US | disclosed |
| CN-107108597-B | Dopamine D3 receptor antagonist compounds | 英立维尔英国有限公司 | 2020-04-17 | — | — | CN | disclosed |
| US-10584135-B2 | Substituted 3,6-diazabicyclo[3.2.0]heptanes | INDIVIOR UK LIMITED (GB) | 2020-03-10 | — | — | US | disclosed |
| US-7772235-B2 | mGluR5 modulators | ASTRAZENECA AB (SE) | 2010-08-10 | — | — | US | disclosed |
| US-7772235-B2 | mGluR5 modulators | ASTRAZENECA AB (SE) | 2010-08-10 | — | — | US | disclosed |
| US-7772235-B2 | mGluR5 modulators | ASTRAZENECA AB (SE) | 2010-08-10 | — | — | US | disclosed |
| EP-2079730-A1 | MGLUR5 MODULATORS | Astra Zeneca AB (SE) | 2009-07-22 | — | — | EP | disclosed |
| US-20080125436-A1 | 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting | ASTRAZENECA AB (SE) | 2008-05-29 | — | — | US | disclosed |
| US-20080125436-A1 | 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting | ASTRAZENECA AB (SE) | 2008-05-29 | — | — | US | disclosed |
| US-20080125436-A1 | 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting | ASTRAZENECA AB (SE) | 2008-05-29 | — | — | US | disclosed |
| WO-2008041075-A1 | MGLUR5 MODULATORS | ASTRAZENECA AB (SE) | 2008-04-10 | — | — | WO | disclosed |
| WO-2008041075-A1 | MGLUR5 MODULATORS | ASTRAZENECA AB (SE) | 2008-04-10 | — | — | 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 (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-20080125436-A1 | 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting | GLRA1, GRM1, GRM5 | HDAC6 1474/4885GRM5 3/4885PIK3CD 2420/4885 |
| US-10654842-B2 | Dopamine D3 receptor antagonist compounds | DRD3, DRD2, DRD4 | HDAC6 2083/4885GRM5 85/4885PIK3CD 742/4885 |
| US-10584135-B2 | Substituted 3,6-diazabicyclo[3.2.0]heptanes | DRD3, DRD2, SLC6A3 | HDAC6 2018/4885GRM5 122/4885PIK3CD 1235/4885 |
“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.