Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 17/20 | 0.79 |
| ▸ | CHRNA4 | P43681 | 17/20 | 0.79 |
| ▸ | CHRNB4 | P30926 | 15/20 | 0.79 |
| ▸ | CHRNA3 | P32297 | 15/20 | 0.79 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL650704 | 1.00 | CHRNB2 (0.79) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Fumaric Acid SCHEMBL651750 | 1.00 | CHRNB2 (0.79) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Fumaric Acid SCHEMBL650703 | 1.00 | CHRNB2 (0.79) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Fumaric Acid SCHEMBL651856 | 1.00 | CHRNB2 (0.79) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Fumaric Acid SCHEMBL652426 | 0.90 | CHRNB2 (0.80) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Fumaric Acid SCHEMBL649420 | 0.90 | CHRNB2 (0.80) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Fumaric Acid SCHEMBL649422 | 0.90 | CHRNB2 (0.80) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Fumaric Acid SCHEMBL654629 | 0.90 | CHRNB2 (0.80) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL650184 | 0.89 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL650247 | 0.89 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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-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 (6 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 | CHRNB2 10/4885CHRNA4 11/4885CHRNB4 15/4885 |
| US-20120208820-A1 | DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS | GAP43, GABRE, CHRNA6 | CHRNB2 10/4885CHRNA4 11/4885CHRNB4 15/4885 |
| US-20020019388-A1 | Diazabicyclic central nervous system active agents | GAP43, GABRE, CHRNA6 | CHRNB2 11/4885CHRNA4 8/4885CHRNB4 15/4885 |
| US-20100016277-A1 | DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS | GAP43, GABRE, CHRNA6 | CHRNB2 10/4885CHRNA4 11/4885CHRNB4 15/4885 |
| US-20040186107-A1 | Diazabicyclic central nervous system active agents | GAP43, GABRE, CHRNA6 | CHRNB2 11/4885CHRNA4 8/4885CHRNB4 15/4885 |
| 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 | CHRNB2 6/4885CHRNA4 10/4885CHRNB4 15/4885 |
“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.