Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 4/20 | 0.43 |
| ▸ | MAOA | P21397 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3580952 | 0.89 | NPSR1 (0.44) | KDM1AMAOAHSD17B10GRIN2BDRD4 | |
| SCHEMBL3580947 | 0.89 | NPSR1 (0.44) | KDM1AMAOAHSD17B10GRIN2BDRD4 | |
| SCHEMBL3580943 | 0.89 | NPSR1 (0.44) | KDM1AMAOAHSD17B10GRIN2BDRD4 | |
| SCHEMBL6102343 | 0.84 | FUCA1 (0.46) | GRM2GRM3KDM1AMAOAHSD17B10 | |
| SCHEMBL3666587 | 0.84 | FUCA1 (0.46) | GRM2GRM3KDM1AMAOAHSD17B10 | |
| SCHEMBL743896 | 0.84 | FUCA1 (0.46) | GRM2GRM3KDM1AMAOAHSD17B10 | |
| SCHEMBL3833535 | 0.84 | FUCA1 (0.46) | GRM2GRM3KDM1AMAOAHSD17B10 | |
| SCHEMBL16656041 | 0.82 | GRM2 (0.43) | GRM2GRM3KDM1AMAOAHSD17B10 | |
| SCHEMBL653688 | 0.81 | FABP6 (0.40) | GRM2GRM3KDM1AMAOAHSD17B10 | |
| SCHEMBL30672712 | 0.79 | ALDH1A1 (0.48) | DPP7DPP4 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8119635-B2 | Diazabicyclic central nervous system active agents | ABBOTT LABORATORIES (US) | 2012-02-21 | — | — | US | 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-7902371-B2 | (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate | ABBOTT LABORATORIES (US) | 2011-03-08 | — | — | US | disclosed |
| US-7872010-B2 | Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors | ABBOTT LABORATORIES (US) | 2011-01-18 | — | — | US | disclosed |
| US-7399765-B2 | Substituted diazabicycloalkane derivatives | ABBOTT LABORATORIES (US) | 2008-07-15 | — | — | 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-20050065178-A1 | Substituted diazabicycloakane derivatives | ABBOTT LABORATORIES | 2005-03-24 | — | — | US | disclosed |
| US-20040242641-A1 | (1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is an effective analgesic agent | ABBOTT LABORATORIES | 2004-12-02 | — | — | 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 (2 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-20050065178-A1 | Substituted diazabicycloakane derivatives | CHRNA7, CHRNA1, CHRNA5 | GRM2 95/4885GRM3 83/4885KDM1A 910/4885 |
| 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 | GRM2 139/4885GRM3 96/4885KDM1A 983/4885 |
“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.