Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 4/20 | 0.40 |
| ▸ | KRAS | P01116 | 1/20 | 0.40 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.40 |
| ▸ | LOX | P28300 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 5/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3705100 | 1.00 | LRRK2 (0.43) | LRRK2HDAC6ACACBKRASSOS1 | |
| SCHEMBL9987987 | 1.00 | LRRK2 (0.43) | LRRK2HDAC6ACACBKRASSOS1 | |
| SCHEMBL18149904 | 0.91 | LOX (0.43) | LRRK2HDAC6ACACBKRASSOS1 | |
| SCHEMBL3323298 | 0.91 | HDAC6 (0.50) | LRRK2HDAC6ACACBLOXLOXL2 | |
| SCHEMBL16695529 | 0.82 | LOX (0.49) | HDAC6LOXLOXL2HCRTR1HCRTR2 | |
| SCHEMBL29979964 | 0.82 | LOX (0.49) | HDAC6LOXLOXL2HCRTR1HCRTR2 | |
| SCHEMBL15086908 | 0.82 | LRRK2 (0.49) | LRRK2HDAC6ACACBKRASSOS1 | |
| SCHEMBL8277618 | 0.82 | LRRK2 (0.49) | LRRK2HDAC6ACACBKRASSOS1 | |
| SCHEMBL20266990 | 0.79 | LOX (0.54) | LRRK2HDAC6ACACBLOXLOXL2 | |
| SCHEMBL20890600 | 0.78 | ACACB (0.47) | LRRK2HDAC6ACACBKRASSOS1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2582698-B1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS INC (US) | 2016-09-14 | — | — | EP | disclosed |
| US-9090605-B2 | Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use | VITAE PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-20150080363-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS, INC. | 2015-03-19 | — | — | US | disclosed |
| US-8933072-B2 | Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use | VITAE PHARMACEUTICALS, INC. (US) | 2015-01-13 | — | — | US | disclosed |
| US-8637505-B2 | Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-28 | — | — | US | disclosed |
| US-20130244993-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-09-19 | — | — | US | disclosed |
| EP-2393807-B1 | CYCLIC INHIBITORS OF 11 -HYDROXYSTEROID DEHYDROGENASE 1 | BOEHRINGER INGELHEIM INT (DE) | 2013-08-14 | — | — | EP | disclosed |
| EP-2393807-B1 | CYCLIC INHIBITORS OF 11 -HYDROXYSTEROID DEHYDROGENASE 1 | BOEHRINGER INGELHEIM INT (DE) | 2013-08-14 | — | — | EP | disclosed |
| EP-2582698-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | Vitae Pharmaceuticals, Inc. (US) | 2013-04-24 | — | — | EP | disclosed |
| WO-2011159760-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS, INC. (US) | 2011-12-22 | — | — | WO | disclosed |
| US-20110312950-A1 | CYCLIC INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-22 | — | — | US | disclosed |
| EP-2393807-A1 | CYCLIC INHIBITORS OF 11 -HYDROXYSTEROID DEHYDROGENASE 1 | Boehringer Ingelheim International GmbH (DE) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010089303-A1 | CYCLIC INHIBITORS OF 11 β-HYDROXYSTEROID DEHYDROGENASE 1 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-08-12 | — | — | WO | disclosed |
| WO-2010089303-A1 | CYCLIC INHIBITORS OF 11 β-HYDROXYSTEROID DEHYDROGENASE 1 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-08-12 | — | — | 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-20130244993-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | CYP11B1, CYP11B2, HSD3B1 | LRRK2 4504/4885HDAC6 2392/4885ACACB 215/4885 |
| US-20150080363-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | CYP11B1, CYP11B2, HSD3B1 | LRRK2 4440/4885HDAC6 2450/4885ACACB 213/4885 |
| US-20110312950-A1 | CYCLIC INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 | HSD11B1, HSD17B1, HSD11B2 | LRRK2 4588/4885HDAC6 767/4885ACACB 441/4885 |
“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.