Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Aplindore. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 8/20 | 0.54 |
| ▸ | DRD4 | P21917 | 4/20 | 0.54 |
| ▸ | DRD3 | P35462 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5957139 | 0.88 | DRD2 (0.55) | DRD2DRD4DRD3KMT2AMEN1 | |
| Aplindore SCHEMBL29359212 | 0.88 | DRD2 (0.68) | DRD2DRD4DRD3KMT2AMEN1 | |
| Aplindore SCHEMBL119499 | 0.88 | DRD2 (0.68) | DRD2DRD4DRD3KMT2AMEN1 | |
| Aplindore SCHEMBL3192098 | 0.88 | DRD2 (0.68) | DRD2DRD4DRD3KMT2AMEN1 | |
| Aplindore SCHEMBL29470967 | 0.84 | DRD2 (0.60) | DRD2DRD4DRD3KMT2AMEN1 | |
| Aplindore SCHEMBL1231153 | 0.84 | DRD2 (0.60) | DRD2DRD4DRD3KMT2AMEN1 | |
| Aplindore SCHEMBL5954695 | 0.84 | DRD2 (0.60) | DRD2DRD4DRD3KMT2AMEN1 | |
| SCHEMBL7395323 | 0.82 | DRD2 (0.45) | DRD2DRD4DRD3KMT2AMEN1 | |
| SCHEMBL7397482 | 0.81 | DRD2 (0.44) | DRD2DRD4DRD3KMT2AMEN1 | |
| SCHEMBL5957109 | 0.80 | DRD2 (0.58) | DRD2DRD4DRD3KMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8466296-B2 | Compounds and processes for preparing substituted aminomethyl-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-ones | LIGAND PHARMACEUTICALS (US) | 2013-06-18 | — | — | US | disclosed |
| US-20100217012-A1 | COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONES | NEUROGEN CORPORATION (US) | 2010-08-26 | — | — | 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-20100217012-A1 | COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONES | MTNR1A, HTR3C, MTNR1B | DRD2 27/4885DRD4 59/4885DRD3 36/4885 |
“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.