Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.59 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.59 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.59 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.59 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.59 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.59 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.59 |
| ▸ | PRCP | P42785 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.59 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.59 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.57 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2200621 | 0.97 | SIGMAR1 (0.64) | SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D | |
| SCHEMBL3941642 | 0.89 | SIGMAR1 (0.49) | SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D | |
| Hydrochloric Acid SCHEMBL735216 | 0.87 | OPRM1 (0.50) | SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D | |
| SCHEMBL30364176 | 0.86 | SIGMAR1 (0.77) | SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D | |
| SCHEMBL1703327 | 0.82 | OPRM1 (0.42) | SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D | |
| SCHEMBL19634059 | 0.82 | GRIN1 (0.84) | SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D | |
| Hydrochloric Acid SCHEMBL2000579 | 0.81 | OPRM1 (0.41) | SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D | |
| SCHEMBL28282384 | 0.80 | GRIN1 (0.88) | SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D | |
| SCHEMBL3407261 | 0.78 | GRIN1 (0.92) | SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D | |
| SCHEMBL9461363 | 0.78 | GRIN1 (0.69) | SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2041142-B1 | SPIROCYCLIC AZAINDOLE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2013-10-09 | — | — | EP | disclosed |
| US-8399503-B2 | Spirocyclic azaindole derivatives | GRUENENTHAL GMBH (DE) | 2013-03-19 | — | — | US | disclosed |
| 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 |
| EP-2121691-B1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2012-04-18 | — | — | EP | disclosed |
| US-8138187-B2 | Substituted heteroaryl derivatives | GRUENENTHAL GMBH (DE) | 2012-03-20 | — | — | US | disclosed |
| US-7960404-B2 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2011-06-14 | — | — | US | disclosed |
| US-20100048553-A1 | Spirocyclic Cyclohexane Compounds | GRUENENTHAL GMBH (DE) | 2010-02-25 | — | — | US | disclosed |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | GRUNENTHAL GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| EP-2121691-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2009-11-25 | — | — | EP | disclosed |
| US-20090156593-A1 | Spirocyclic Azaindole Derivatives | GRUNENTHAL GMBH (DE) | 2009-06-18 | — | — | 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 |
| EP-2041142-A1 | SPIROCYCLIC AZAINDOLE DERIVATIVES | Grünenthal GmbH (DE) | 2009-04-01 | — | — | EP | disclosed |
| WO-2008101660-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2008-08-28 | — | — | WO | disclosed |
| WO-2008009416-A1 | SPIROCYCLIC AZAINDOLE DERIVATIVES | Grünenthal GmbH (DE) | 2008-01-24 | — | — | WO | 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 (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-20090156593-A1 | Spirocyclic Azaindole Derivatives | AZI2, TPMT, AADAC | SIGMAR1 1174/4885GRIN1 1383/4885GRIN2A 381/4885 |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | CYP3A43, HMGCR, ABCG2 | SIGMAR1 873/4885GRIN1 4211/4885GRIN2A 2298/4885 |
| US-20100048553-A1 | Spirocyclic Cyclohexane Compounds | PKD2, PKD1, RYR1 | SIGMAR1 220/4885GRIN1 671/4885GRIN2A 532/4885 |
“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.