Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK3 | O14649 | 2/20 | 0.50 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.50 |
| ▸ | PTGES | O14684 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | F2R | P25116 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2440131 | 0.87 | TP53 (0.53) | KCNK3KCNK9PTGESTP53SMN1; SMN2 | |
| SCHEMBL2444422 | 0.86 | TP53 (0.62) | KCNK3KCNK9PTGESTP53SMN1; SMN2 | |
| SCHEMBL2439567 | 0.85 | SMN1; SMN2 (0.56) | TP53SMN1; SMN2POLBLMNAGAA | |
| SCHEMBL2438553 | 0.84 | RAB9A (0.54) | KCNK3KCNK9PTGESTP53SMN1; SMN2 | |
| SCHEMBL2437296 | 0.82 | SMN1; SMN2 (0.61) | KCNK3KCNK9TP53SMN1; SMN2POLB | |
| SCHEMBL2439676 | 0.81 | TP53 (0.54) | TP53SMN1; SMN2POLBLMNAGAA | |
| SCHEMBL2438377 | 0.80 | LMNA (0.47) | KCNK3KCNK9PTGESTP53SMN1; SMN2 | |
| SCHEMBL2437851 | 0.79 | TP53 (0.56) | KCNK3KCNK9TP53SMN1; SMN2POLB | |
| SCHEMBL2439630 | 0.77 | SMN1; SMN2 (0.49) | TP53SMN1; SMN2HTTPOLBALDH1A1 | |
| SCHEMBL2440970 | 0.77 | MAPT (0.51) | TP53SMN1; SMN2LMNAALDH1A1MAPT |
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-1893589-B1 | SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2011-09-14 | — | — | EP | claimed |
| US-20080312301-A1 | Substituted N-Benzo[D]Isoxazol-3-Yl-Amine Compounds as Inhibitors of Mglur5, Serotonin (5-Ht) and Noradrenaline Receptors, and Uses Thereof | GRUENENTHAL GMBH (DE) | 2008-12-18 | — | — | US | claimed |
| EP-1893589-A1 | SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2008-03-05 | — | — | EP | claimed |
| WO-2006131296-A1 | SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2006-12-14 | — | — | WO | claimed |
| EP-1893589-B1 | SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2011-09-14 | — | — | EP | disclosed |
| US-20080312301-A1 | Substituted N-Benzo[D]Isoxazol-3-Yl-Amine Compounds as Inhibitors of Mglur5, Serotonin (5-Ht) and Noradrenaline Receptors, and Uses Thereof | GRUENENTHAL GMBH (DE) | 2008-12-18 | — | — | US | disclosed |
| EP-1893589-A1 | SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006131296-A1 | SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2006-12-14 | — | — | 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 (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-20080312301-A1 | Substituted N-Benzo[D]Isoxazol-3-Yl-Amine Compounds as Inhibitors of Mglur5, Serotonin (5-Ht) and Noradrenaline Receptors, and Uses Thereof | HTR5A, NPY5R, GRM5 | KCNK3 1135/4885KCNK9 1520/4885PTGES 1088/4885 |
“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.