Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.49 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | PRCP | P42785 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.49 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.49 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SLC6A9 | P48067 | 4/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL733277 | 0.85 | GRIN1 (0.62) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL2203974 | 0.85 | GRIN1 (0.68) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL9431836 | 0.83 | GRIN1 (0.71) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| Ethylene SCHEMBL11093647 | 0.82 | GRIN1 (0.64) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL7388493 | 0.81 | SIGMAR1 (0.73) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL7493886 | 0.81 | SIGMAR1 (0.56) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL10819368 | 0.79 | GRIN2D (0.50) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL19262558 | 0.79 | SIGMAR1 (0.50) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL27678993 | 0.79 | SIGMAR1 (0.50) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL7490969 | 0.78 | SIGMAR1 (0.68) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2044016-B1 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | GRUENENTHAL GMBH (DE) | 2012-12-05 | — | — | EP | disclosed |
| US-8138187-B2 | Substituted heteroaryl derivatives | GRUENENTHAL GMBH (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | GRUNENTHAL GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| EP-2044016-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008009415-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2008-01-24 | — | — | 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-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | CYP3A43, HMGCR, ABCG2 | SIGMAR1 873/4885GRIN2D 2180/4885GRIN3B 2225/4885 |
“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.