Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pyrovalerone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 19/20 | 1.00 |
| ▸ | SLC6A2 known ✓ | P23975 | 16/20 | 1.00 |
| ▸ | SLC6A4 | P31645 | 11/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Pyrovalerone SCHEMBL4930605 | 1.00 | SLC6A3 (1.00) | SLC6A3SLC6A2SLC6A4 | |
| Pyrovalerone SCHEMBL164376 | 1.00 | SLC6A3 (1.00) | SLC6A3SLC6A2SLC6A4 | |
| Pyrovalerone SCHEMBL121638 | 0.98 | SLC6A3 (0.97) | SLC6A3SLC6A2SLC6A4 | |
| Pyrovalerone SCHEMBL1649739 | 0.97 | SLC6A3 (0.94) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL5190976 | 0.91 | SLC6A3 (0.84) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL17043263 | 0.91 | SLC6A3 (0.84) | SLC6A3SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL15163018 | 0.90 | SLC6A3 (0.82) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL4937657 | 0.88 | SLC6A3 (1.00) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL17043265 | 0.88 | SLC6A3 (0.78) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL15162038 | 0.88 | SLC6A3 (0.78) | SLC6A3SLC6A2SLC6A4 |
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-20080234498-A1 | Pyrovalerone Analogues and Therapeutic Uses Thereof | PRESIDENT AND FELLOW OF HARVARD COLLEGE (US) | 2008-09-25 | — | — | US | disclosed |
| US-20080234498-A1 | Pyrovalerone Analogues and Therapeutic Uses Thereof | PRESIDENT AND FELLOW OF HARVARD COLLEGE (US) | 2008-09-25 | — | — | US | disclosed |
| US-20080234498-A1 | Pyrovalerone Analogues and Therapeutic Uses Thereof | PRESIDENT AND FELLOW OF HARVARD COLLEGE (US) | 2008-09-25 | — | — | 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 (1 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-20080234498-A1 | Pyrovalerone Analogues and Therapeutic Uses Thereof | SLC6A2, SLC6A4, SLC6A3 | SLC6A3 3/4885SLC6A2 1/4885SLC6A4 2/4885 |
“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.