Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.48 |
| ▸ | CCR2 | P41597 | 5/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL207055 | 0.87 | OPRM1 (0.57) | SMYD3CCR2KCNH2POLBHTT | |
| SCHEMBL207133 | 0.87 | ALDH1A1 (0.50) | HTTNPC1RAB9AOPRM1OPRL1 | |
| SCHEMBL207653 | 0.82 | OPRM1 (0.43) | POLBNPC1RAB9AOPRM1OPRL1 | |
| SCHEMBL206898 | 0.81 | OPRM1 (0.60) | NPC1OPRM1OPRL1 | |
| SCHEMBL206118 | 0.81 | HDAC3 (0.45) | SMYD3CCR2KCNH2NPC1RAB9A | |
| SCHEMBL206686 | 0.81 | KMT2A (0.42) | HTTNPC1RAB9ASIGMAR1OPRM1 | |
| SCHEMBL207464 | 0.79 | EPHX2 (0.45) | OPRM1OPRL1 | |
| SCHEMBL208415 | 0.79 | SMYD3 (0.47) | SMYD3CCR2POLBHTTNPC1 | |
| SCHEMBL208376 | 0.78 | OPRM1 (0.44) | NPC1RAB9AOPRM1OPRL1 | |
| SCHEMBL208749 | 0.78 | CCR2 (0.45) | CCR2KCNH2SIGMAR1OPRM1OPRL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8088763-B2 | e.g. N-[1-(2,6-dichloro-benzyl)-pyrrolidin-3-yl]-N'-[4-dimethylamino-4-(4-methyl-benzyl)-cyclohexyl]-succinamide; noradrenaline and serotonin reuptake ihibitor; opioid ORL-1 receptor ligand; analgesic, antidepressant, anxiolytic agent, neurodegenerative diseases | GRUENENTHAL GMBH (DE) | 2012-01-03 | — | — | US | claimed |
| EP-1745010-B1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-08-05 | — | — | EP | claimed |
| US-20070112007-A1 | Cyclohexyl-1, 4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | US | claimed |
| US-8088763-B2 | e.g. N-[1-(2,6-dichloro-benzyl)-pyrrolidin-3-yl]-N'-[4-dimethylamino-4-(4-methyl-benzyl)-cyclohexyl]-succinamide; noradrenaline and serotonin reuptake ihibitor; opioid ORL-1 receptor ligand; analgesic, antidepressant, anxiolytic agent, neurodegenerative diseases | GRUENENTHAL GMBH (DE) | 2012-01-03 | — | — | US | disclosed |
| EP-1745010-B1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-08-05 | — | — | EP | disclosed |
| US-20070112007-A1 | Cyclohexyl-1, 4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | US | disclosed |
| EP-1745010-A1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005110974-A1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2005-11-24 | — | — | 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-20070112007-A1 | Cyclohexyl-1, 4-diamine compounds | PKD1, DDC, DPYD | SMYD3 3967/4885CCR2 2965/4885KCNH2 3000/4885 |
“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.