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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.47 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 3/20 | 0.60 |
| ▸ | DRD3 | P35462 | 3/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | PRCP | P42785 | 1/20 | 0.47 |
| ▸ | EBP | Q15125 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3041691 | 1.00 | DRD2 (0.60) | DRD2DRD3CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL3037442 | 0.98 | DRD2 (0.62) | DRD2DRD3CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL566627 | 0.98 | DRD2 (0.62) | DRD2DRD3CYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL3037509 | 0.97 | DRD2 (0.60) | DRD2DRD3CYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL3037511 | 0.97 | DRD2 (0.60) | DRD2DRD3CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL11768645 | 0.93 | DRD3 (0.56) | DRD2DRD3CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL7405883 | 0.90 | DRD2 (0.55) | DRD2DRD3 | |
| Tert-Butyl Formate SCHEMBL27616090 | 0.83 | DRD2 (0.47) | DRD2DRD3SIGMAR1NFKB1PRCP | |
| Hydrochloric Acid SCHEMBL4619059 | 0.80 | CHRNB2 (0.52) | DRD2DRD3 | |
| SCHEMBL1658753 | 0.80 | HDAC4 (0.56) | DRD2DRD3SIGMAR1NFKB1PRCP |
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 | SLC6A2 1172/4885SLC6A4 2018/4885SLC6A3 450/4885 |
| 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 | SLC6A2 973/4885SLC6A4 1880/4885SLC6A3 382/4885 |
| 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 | SLC6A2 977/4885SLC6A4 1964/4885SLC6A3 396/4885 |
| 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 | SLC6A2 1172/4885SLC6A4 2018/4885SLC6A3 450/4885 |
“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.