Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.52 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.49 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28302961 | 0.98 | HTR3A (0.53) | HTR3AESR2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL567111 | 0.98 | HTR3A (0.53) | HTR3AESR2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL20805968 | 0.88 | HTR3A (0.66) | HTR3AESR2 | |
| SCHEMBL25936803 | 0.85 | ESR2 (0.55) | ESR2CYP2D6ESR1CYP3A4CYP2C9 | |
| Bromide SCHEMBL11720641 | 0.80 | QDPR (0.64) | HTR3ACYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23119873 | 0.79 | ESR2 (0.52) | HTR3AESR2ESR1CYP3A4CYP2C9 | |
| Bromide SCHEMBL3041691 | 0.79 | DRD2 (0.60) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| Bromide SCHEMBL567330 | 0.79 | DRD2 (0.60) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL13505492 | 0.78 | HTR3A (0.53) | HTR3ACYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25305280 | 0.78 | HTR3A (0.53) | HTR3ACYP2D6SLC6A2SLC6A4SLC6A3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8809536-B2 | 2,3-dihydrobenzo[1,4] dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous system diseases | ORION CORPORATION (FI) | 2014-08-19 | — | — | US | disclosed |
| US-20140179926-A1 | 2,3-DIHYDROBENZO[1,4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES | ORION CORPORATION (FI) | 2014-06-26 | — | — | US | disclosed |
| US-8697723-B2 | 2,3-dihydrobenzo(1,4) dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous system diseases | ORION CORPORATION (FI) | 2014-04-15 | — | — | US | disclosed |
| US-20130281486-A1 | 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES | ORION CORP (FI) | 2013-10-24 | — | — | US | disclosed |
| US-8492549-B2 | 2,3-dihydrobenzo(1,4) dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous systeme diseases | ORION CORPORATION (FI) | 2013-07-23 | — | — | US | disclosed |
| US-20120035210-A9 | 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES | ORION CORPORATION (FI) | 2012-02-09 | — | — | US | disclosed |
| US-20100216836-A1 | 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES | ORION CORPORATION (FI) | 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 (4 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-20120035210-A9 | 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES | PMP22, NPY2R, ADRA2C | HTR3A 137/4885SLC6A2 1172/4885SLC6A4 2018/4885 |
| US-20130281486-A1 | 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES | PMP22, NPY2R, ADRA2C | HTR3A 113/4885SLC6A2 973/4885SLC6A4 1880/4885 |
| US-20140179926-A1 | 2,3-DIHYDROBENZO[1,4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES | PMP22, NPY2R, ADRA2C | HTR3A 113/4885SLC6A2 977/4885SLC6A4 1964/4885 |
| US-20100216836-A1 | 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES | PMP22, NPY2R, ADRA2C | HTR3A 137/4885SLC6A2 1172/4885SLC6A4 2018/4885 |
“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.