Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6944902 | 0.90 | CYP2A13 (0.59) | CYP2A13KDM4EALDH1A1TDP1CXCR4 | |
| SCHEMBL5824541 | 0.82 | CXCR4 (0.65) | CYP2A13KDM4EALDH1A1CXCR4POLB | |
| SCHEMBL31669240 | 0.82 | CXCR4 (0.65) | CYP2A13KDM4EALDH1A1CXCR4POLB | |
| Hydrochloric Acid SCHEMBL28987734 | 0.81 | CXCR4 (0.63) | CYP2A13KDM4EALDH1A1CXCR4POLB | |
| SCHEMBL3167825 | 0.81 | CXCR4 (0.59) | CYP2A13KDM4EALDH1A1TDP1CXCR4 | |
| SCHEMBL8113067 | 0.80 | CYP2A13 (0.64) | CYP2A13KDM4EALDH1A1TDP1TSHR | |
| SCHEMBL6946335 | 0.80 | CYP2A13 (0.64) | CYP2A13KDM4EALDH1A1TDP1TSHR | |
| SCHEMBL3167816 | 0.78 | GAA (0.57) | CYP2A13KDM4EALDH1A1TDP1TSHR | |
| SCHEMBL42501 | 0.77 | ACHE (0.58) | ALDH1A1SIGMAR1DRD2LTA4H | |
| SCHEMBL330609 | 0.77 | ACHE (0.58) | ALDH1A1SIGMAR1DRD2LTA4H |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1869053-B1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2013-10-09 | — | — | EP | claimed |
| US-7829568-B2 | Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs | GRUENENTHAL GMBH (DE) | 2010-11-09 | — | — | US | claimed |
| EP-1745010-B1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-08-05 | — | — | EP | claimed |
| EP-1869038-B1 | SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS | GRUENENTHAL GMBH (DE) | 2009-07-08 | — | — | EP | claimed |
| US-20090076001-A1 | Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments | GRUENENTHAL GMBH (DE) | 2009-03-19 | — | — | US | claimed |
| US-20080300256-A1 | Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs | GRUENENTHAL GMBH (DE) | 2008-12-04 | — | — | 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 |
| 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 |
| US-7829568-B2 | Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs | GRUENENTHAL GMBH (DE) | 2010-11-09 | — | — | US | disclosed |
| US-20090076001-A1 | Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments | GRUENENTHAL GMBH (DE) | 2009-03-19 | — | — | US | disclosed |
| US-20080300256-A1 | Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs | GRUENENTHAL GMBH (DE) | 2008-12-04 | — | — | US | disclosed |
| US-20070112007-A1 | Cyclohexyl-1, 4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | US | disclosed |
| US-20070112007-A1 | Cyclohexyl-1, 4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | US | 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-20090076001-A1 | Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments | P2RX5, P2RX4, P2RX7 | CYP2A13 377/4885KDM4E 1123/4885ALDH1A1 1107/4885 |
| US-20070112007-A1 | Cyclohexyl-1, 4-diamine compounds | PKD1, DDC, DPYD | CYP2A13 454/4885KDM4E 462/4885ALDH1A1 158/4885 |
| US-20080300256-A1 | Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs | CYP3A7, CYP3A5, CYP2D6 | CYP2A13 451/4885KDM4E 1116/4885ALDH1A1 538/4885 |
“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.