Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.62 |
| ▸ | TP53 | P04637 | 6/20 | 0.62 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HTR1F | P30939 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2440155 | 0.86 | SMN1; SMN2 (0.52) | SMN1; SMN2TP53NPC1RAB9ACYP1A2 | |
| SCHEMBL2440202 | 0.82 | SMN1; SMN2 (0.68) | SMN1; SMN2TP53NPC1RAB9AMAPT | |
| SCHEMBL2437224 | 0.82 | TP53 (0.58) | SMN1; SMN2TP53NPC1RAB9AMAPT | |
| SCHEMBL2439106 | 0.81 | SMN1; SMN2 (0.58) | SMN1; SMN2TP53NPC1RAB9AMAPT | |
| SCHEMBL2440209 | 0.78 | SMN1; SMN2 (0.51) | SMN1; SMN2TP53NPC1RAB9ACYP1A2 | |
| SCHEMBL2441870 | 0.78 | SMN1; SMN2 (0.52) | SMN1; SMN2TP53NPC1RAB9ACYP1A2 | |
| SCHEMBL2438765 | 0.78 | TP53 (0.45) | SMN1; SMN2TP53NPC1RAB9AMAPT | |
| SCHEMBL2439738 | 0.77 | TP53 (0.53) | SMN1; SMN2TP53NPC1RAB9AMAPT | |
| SCHEMBL2438362 | 0.76 | SMN1; SMN2 (0.52) | SMN1; SMN2TP53NPC1RAB9ACYP1A2 | |
| SCHEMBL2440321 | 0.76 | SMN1; SMN2 (0.55) | SMN1; SMN2TP53NPC1RAB9AMAPT |
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 | SMN1; SMN2 2423/4885TP53 4882/4885NPC1 1395/4885 |
“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.