Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL4765646 | 1.00 | ESR1 (0.52) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL1787934 | 0.85 | ESR1 (0.53) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL1787935 | 0.85 | ESR1 (0.53) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL6857272 | 0.85 | ESR1 (0.56) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL1790256 | 0.85 | ESR1 (0.56) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL373697 | 0.77 | ESR2 (0.83) | ESR1ESR2HDAC6ABHD6CA1 | |
| SCHEMBL31173299 | 0.77 | ESR2 (0.68) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL2334651 | 0.77 | ESR2 (0.68) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL31173437 | 0.76 | ESR2 (0.67) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL7849236 | 0.76 | ESR2 (0.58) | ESR1ESR2HDAC6PKMABHD6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7429579-B2 | Tetrahydrobenzazepine derivatives useful as modulators of dopamine D3 receptors (antipsychotic agents) | SMITHKLINE BEECHAM, PLC (GB) | 2008-09-30 | — | — | US | disclosed |
| EP-1335915-B1 | TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) | SMITHKLINE BEECHAM PLC (GB) | 2008-01-02 | — | — | EP | disclosed |
| US-20040171606-A1 | Tetrahydrobenzazepine derivatives useful as modulators of dopamine d3 receptors (antipsychotic agents) | SMITHKLINE BEECHAM PLC (GB) | 2004-09-02 | — | — | US | disclosed |
| EP-1335915-A2 | TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) | SMITHKLINE BEECHAM PLC (GB) | 2003-08-20 | — | — | EP | disclosed |
| WO-2002040471-A9 | TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) | SMITHKLINE BEECHAM PLC (GB) | 2003-07-31 | — | — | WO | disclosed |
| WO-2002040471-A2 | TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-05-23 | — | — | WO | 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-20040171606-A1 | Tetrahydrobenzazepine derivatives useful as modulators of dopamine d3 receptors (antipsychotic agents) | DRD3, DRD2, DRD1 | ESR1 1677/4885ESR2 698/4885HDAC6 1621/4885 |
“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.