Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 10/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 12/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 12/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 9/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 9/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL928724 | 1.00 | CCR5 (0.47) | CCR5CHRNA7CHRNB2CHRNA4CHRNB4 | |
| Trifluoroacetic Acid SCHEMBL3820614 | 0.90 | CHRNB2 (0.45) | CCR5CHRNA7CHRNB2CHRNA4CHRNB4 | |
| Trifluoroacetic Acid SCHEMBL2895465 | 0.84 | CHRNA7 (0.36) | CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Trifluoroacetic Acid SCHEMBL48017 | 0.84 | MAN1B1 (0.36) | CHRNA7SLC6A2SLC6A4SLC6A3CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL3393811 | 0.83 | CHRNA7 (0.40) | CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Trifluoroacetic Acid SCHEMBL29455143 | 0.83 | CHRNB2 (0.64) | CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Trifluoroacetic Acid SCHEMBL930323 | 0.83 | CHRNA7 (0.37) | CCR5CHRNA7CHRNB2CHRNA4CHRNB4 | |
| Trifluoroacetic Acid SCHEMBL28336835 | 0.82 | SLC6A2 (0.35) | CHRNA7CHRNB2CHRNA4SLC6A2SLC6A4 | |
| Trifluoroacetic Acid SCHEMBL28649473 | 0.82 | MAN1B1 (0.55) | CHRNA7SLC6A2SLC6A4SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL28649474 | 0.82 | MAN1B1 (0.55) | CHRNA7SLC6A2SLC6A4SLC6A3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |
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-20080275048-A1 | Substituted Diazabicycloalkane Derivates | CHRNA7, CHRNA1, CHRNA2 | CCR5 440/4885CHRNA7 1/4885CHRNB2 7/4885 |
| 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 | CCR5 968/4885CHRNA7 1/4885CHRNB2 6/4885 |
“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.