Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | HTR2B | P41595 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | BPTF | Q12830 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12066938 | 1.00 | CYP2D6 (0.44) | CYP2D6HTR1AOPRM1OPRD1OPRK1 | |
| SCHEMBL1617746 | 1.00 | CYP2D6 (0.44) | CYP2D6HTR1AOPRM1OPRD1OPRK1 | |
| SCHEMBL649311 | 1.00 | CYP2D6 (0.44) | CYP2D6HTR1AOPRM1OPRD1OPRK1 | |
| SCHEMBL17228501 | 0.80 | CYP2D6 (0.40) | CYP2D6HTR1AOPRM1OPRD1OPRK1 | |
| SCHEMBL19083163 | 0.79 | HTR2C (0.35) | HTR2AHTR2CHTR2BHRH3CCR5 | |
| SCHEMBL17131633 | 0.79 | HTR2C (0.35) | HTR2AHTR2CHTR2BHRH3CCR5 | |
| SCHEMBL17131616 | 0.79 | HTR2C (0.35) | HTR2AHTR2CHTR2BHRH3CCR5 | |
| SCHEMBL6331046 | 0.77 | CHRNB2 (0.42) | CYP2D6CHRNB4CHRNA3ALDH1A1HPGD | |
| SCHEMBL14718396 | 0.77 | HRH3 (0.50) | CYP2D6HTR1AOPRM1OPRD1OPRK1 | |
| SCHEMBL927546 | 0.77 | CHRNB2 (0.42) | CYP2D6CHRNB4CHRNA3ALDH1A1HPGD |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8785477-B2 | Hexahydropyrrolo[3,4-b]pyrrole derivatives, preparation methods and pharmaceutical uses thereof | SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) | 2014-07-22 | — | — | US | disclosed |
| US-20130178500-A1 | HEXAHYDROPYRROLO[3,4-b]PYRROLE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF | JIANGSU JINGLIXIN PHARMACEUTICAL TECHNOLOGY CO.,LTD. (CN) | 2013-07-11 | — | — | US | disclosed |
| US-20120208820-A1 | DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS | SCHRIMPF MICHAEL R (US) | 2012-08-16 | — | — | US | disclosed |
| US-8119635-B2 | Diazabicyclic central nervous system active agents | ABBOTT LABORATORIES (US) | 2012-02-21 | — | — | US | disclosed |
| WO-2011147207-A1 | HEXAHYDROPYRROLO[3,4-b]PYRROLE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF | 上海阳帆医药科技有限公司 (CN) | 2011-12-01 | — | — | WO | disclosed |
| EP-2316836-A1 | Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors | Abbott Laboratories (US) | 2011-05-04 | — | — | EP | disclosed |
| EP-2298775-A1 | Diazabicyclic central nervous system active agents | Abbott Laboratories (US) | 2011-03-23 | — | — | EP | disclosed |
| EP-2295437-A1 | Diazabicyclic central nervous system active agents | Abbott Laboratories (US) | 2011-03-16 | — | — | EP | disclosed |
| US-7872010-B2 | Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors | ABBOTT LABORATORIES (US) | 2011-01-18 | — | — | US | disclosed |
| US-20100016277-A1 | DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS | ABBOTT LABORATORIES (US) | 2010-01-21 | — | — | US | disclosed |
| US-7598236-B2 | Diazabicyclic central nervous system active agents | ABBOTT LABORATORIES (US) | 2009-10-06 | — | — | US | disclosed |
| US-20080275048-A1 | Substituted Diazabicycloalkane Derivates | ABBOTT LABORATORIES (US) | 2008-11-06 | — | — | US | disclosed |
| US-7399765-B2 | Substituted diazabicycloalkane derivatives | ABBOTT LABORATORIES (US) | 2008-07-15 | — | — | US | disclosed |
| US-20080097094-A1 | DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS | ABBOTT LABORATORIES (US) | 2008-04-24 | — | — | US | disclosed |
| US-7319106-B2 | Diazabicyclic central nervous system active agents | ABBOTT LABORATORIES (US) | 2008-01-15 | — | — | US | disclosed |
| US-20050101602-A1 | For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease | ABBVIE INC. | 2005-05-12 | — | — | US | disclosed |
| US-6809105-B2 | (CIS)-6-(3-PYRIDINYL)-3,6-DIAZABICYCLO(3.2.0) HEPTANE FOR EXAMPLE; ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, ATTENTION DEFICIT HYPERACTIVITY DISORDER, DEPRESSION, NICOTINIC WITHDRAWAL SYNDROME, TOURETTE'S SYNDROME, AND SCHIZOPHRENIA | ABBOTT LABORATORIES | 2004-10-26 | — | — | US | disclosed |
| US-20040186107-A1 | Diazabicyclic central nervous system active agents | ABBVIE INC. | 2004-09-23 | — | — | US | disclosed |
| US-20020019388-A1 | Diazabicyclic central nervous system active agents | ABBVIE INC. | 2002-02-14 | — | — | 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 (8 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-20080097094-A1 | DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS | GAP43, GABRE, CHRNA6 | CYP2D6 711/4885HTR1A 998/4885OPRM1 190/4885 |
| US-20120208820-A1 | DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS | GAP43, GABRE, CHRNA6 | CYP2D6 711/4885HTR1A 998/4885OPRM1 190/4885 |
| US-20130178500-A1 | HEXAHYDROPYRROLO[3,4-b]PYRROLE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF | DPP4, DPP3, DPP7 | CYP2D6 79/4885HTR1A 2837/4885OPRM1 2450/4885 |
| US-20020019388-A1 | Diazabicyclic central nervous system active agents | GAP43, GABRE, CHRNA6 | CYP2D6 441/4885HTR1A 724/4885OPRM1 166/4885 |
| US-20080275048-A1 | Substituted Diazabicycloalkane Derivates | CHRNA7, CHRNA1, CHRNA2 | CYP2D6 998/4885HTR1A 75/4885OPRM1 107/4885 |
| US-20100016277-A1 | DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS | GAP43, GABRE, CHRNA6 | CYP2D6 711/4885HTR1A 998/4885OPRM1 190/4885 |
| US-20040186107-A1 | Diazabicyclic central nervous system active agents | GAP43, GABRE, CHRNA6 | CYP2D6 441/4885HTR1A 724/4885OPRM1 166/4885 |
| US-20050101602-A1 | For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease | CHRNA7, CHRNA2, CHRNA6 | CYP2D6 571/4885HTR1A 34/4885OPRM1 131/4885 |
“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.