Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Du 125530. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 14/20 | 0.67 |
| ▸ | DRD2 | P14416 | 16/20 | 0.64 |
| ▸ | HTR2A | P28223 | 13/20 | 0.64 |
| ▸ | HTR7 | P34969 | 13/20 | 0.64 |
| ▸ | HTR6 | P50406 | 13/20 | 0.64 |
| ▸ | DRD4 | P21917 | 3/20 | 0.61 |
| ▸ | DRD5 | P21918 | 3/20 | 0.61 |
| ▸ | DRD3 | P35462 | 3/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Du 125530 SCHEMBL1082516 | 0.99 | HTR1A (0.68) | HTR1ADRD2HTR2AHTR7HTR6 | |
| Du 125530 SCHEMBL29403202 | 0.99 | HTR1A (0.68) | HTR1ADRD2HTR2AHTR7HTR6 | |
| SCHEMBL7820656 | 0.98 | HTR1A (0.67) | HTR1ADRD2HTR2AHTR7HTR6 | |
| Hydrochloric Acid SCHEMBL9268325 | 0.95 | HTR1A (0.75) | HTR1ADRD2HTR2AHTR7HTR6 | |
| SCHEMBL7821691 | 0.94 | HTR1A (0.76) | HTR1ADRD2HTR2AHTR7HTR6 | |
| SCHEMBL7820777 | 0.90 | HTR1A (0.55) | HTR1ADRD2HTR2AHTR7HTR6 | |
| SCHEMBL7815669 | 0.88 | HTR1A (0.68) | HTR1ADRD2HTR2AHTR7HTR6 | |
| SCHEMBL7833008 | 0.88 | HTR1A (0.68) | HTR1ADRD2HTR2AHTR7HTR6 | |
| SCHEMBL7814640 | 0.86 | HTR1A (0.65) | HTR1ADRD2HTR2AHTR7HTR6 | |
| SCHEMBL7817326 | 0.86 | HTR1A (0.65) | HTR1ADRD2HTR2AHTR7HTR6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050165025-A1 | Combination therapy with 5HT 1A and 5HT 1B-receptor antagonists | RECORDATI IRELAND LTD. (IE) | 2005-07-28 | — | — | US | claimed |
| EP-0783500-B1 | AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS | ZENECA LTD (GB) | 1998-07-22 | — | — | EP | claimed |
| EP-1706147-A2 | COMBINATION THERAPY WITH 5-HT sb 1A /sb AND 5-HT sb 1B /sb RECEPTOR ANTAGONISTS | Recordati Ireland Limited (IE) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005070460-A2 | COMBINATION THERAPY WITH 5-HT1A AND 5-HT1B RECEPTOR ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2005-08-04 | — | — | WO | disclosed |
| US-20050165025-A1 | Combination therapy with 5HT 1A and 5HT 1B-receptor antagonists | RECORDATI IRELAND LTD. (IE) | 2005-07-28 | — | — | 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-20050165025-A1 | Combination therapy with 5HT 1A and 5HT 1B-receptor antagonists | HTR1B, HTR1A, HTR2B | HTR1A 2/4885DRD2 87/4885HTR2A 9/4885 |
“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.