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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.45 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.45 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.45 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.45 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.45 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | SLC6A9 | P48067 | 4/20 | 0.46 |
| ▸ | GPX4 | P36969 | 3/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | DRD1 | P21728 | 2/20 | 0.45 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | BCL2 | P10415 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1500596 | 0.98 | CYP2D6 (0.52) | CYP2D6CYP19A1SLC6A9GPX4CHRM2 | |
| Hydrochloric Acid SCHEMBL1782142 | 0.96 | CYP2D6 (0.50) | CYP2D6CYP19A1SLC6A9GPX4CHRM2 | |
| SCHEMBL1779185 | 0.91 | CYP2D6 (0.46) | CYP2D6CYP19A1SLC6A9GPX4CHRM2 | |
| SCHEMBL3298070 | 0.83 | MAPK1 (0.40) | CYP2D6CYP19A1SLC6A9GPX4CHRM2 | |
| SCHEMBL3301129 | 0.81 | OPRD1 (0.51) | CYP2D6SLC6A9GPX4CYP2C19OPRM1 | |
| SCHEMBL3301126 | 0.81 | OPRD1 (0.51) | CYP2D6SLC6A9GPX4CYP2C19OPRM1 | |
| SCHEMBL3298937 | 0.80 | OPRM1 (0.44) | CYP2D6CYP19A1SLC6A9CHRM2HTR1A | |
| SCHEMBL1500612 | 0.79 | MGLL (0.43) | CYP2D6CYP19A1GPX4CHRM2HTR1A | |
| SCHEMBL1500614 | 0.79 | MGLL (0.43) | CYP2D6CYP19A1GPX4CHRM2HTR1A | |
| SCHEMBL7275198 | 0.78 | ACHE (0.46) | CYP2D6CYP19A1CHRM2HTR1AADRA2A |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2229355-B1 | METHOD FOR PREPARING AZETIDINE DERIVATIVES | SANOFI SA (FR) | 2012-09-19 | — | — | EP | claimed |
| US-8207355-B2 | Method for preparing azetidine derivatives | SANOFI-AVENTIS (FR) | 2012-06-26 | — | — | US | claimed |
| US-20110118481-A1 | METHOD FOR PREPARING AZETIDINE DERIVATIVES | SANOFI-AVENTIS (FR) | 2011-05-19 | — | — | US | claimed |
| US-7687493-B2 | Product, method and intermediates for the preparation of azetidine derivatives | AVENTIS PHARMA SA (FR) | 2010-03-30 | — | — | US | claimed |
| US-20070270463-A1 | NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES | SANOFI-AVENTIS (FR) | 2007-11-22 | — | — | US | claimed |
| US-8207355-B2 | Method for preparing azetidine derivatives | SANOFI-AVENTIS (FR) | 2012-06-26 | — | — | US | disclosed |
| US-8071788-B2 | Method and intermediates for the preparation of derivatives of N-(1-benzhydrylazetidin-3-yl)-N-phenylmethylsulfonamide | SANOFI-AVENTIS (FR) | 2011-12-06 | — | — | US | disclosed |
| US-20110118481-A1 | METHOD FOR PREPARING AZETIDINE DERIVATIVES | SANOFI-AVENTIS (FR) | 2011-05-19 | — | — | US | disclosed |
| US-20100087414-A1 | METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE | SANOFI-AVENTIS (FR) | 2010-04-08 | — | — | US | disclosed |
| US-7687493-B2 | Product, method and intermediates for the preparation of azetidine derivatives | AVENTIS PHARMA SA (FR) | 2010-03-30 | — | — | US | disclosed |
| US-7652154-B2 | Method and intermediates for the preparation of derivatives of N (1-benzhydrylazetidin-3-yl)-N-phenylmethylsulfonamide | SANOFI-AVENTIS (FR) | 2010-01-26 | — | — | US | disclosed |
| US-20080312205-A1 | METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE | SANOFI-AVENTIS (FR) | 2008-12-18 | — | — | US | disclosed |
| US-7429668-B2 | Method and intermediates for the preparation of derivatives of N-(1-benzhydrylazetidin-3-yl)-N-phenylmethylsulfonamide | SANOFI-AVENTIS (FR) | 2008-09-30 | — | — | US | disclosed |
| US-20070270463-A1 | NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES | SANOFI-AVENTIS (FR) | 2007-11-22 | — | — | US | disclosed |
| US-20070244084-A1 | METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE | AVENTIS PHARMA SA (FR) | 2007-10-18 | — | — | 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 (5 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-20070270463-A1 | NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES | QDPR, AZI2, NISCH | CHRM2 1745/4885HTR1A 327/4885ADRA2A 945/4885 |
| US-20100087414-A1 | METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE | NPEPPS, DHPS, NISCH | CHRM2 3934/4885HTR1A 1347/4885ADRA2A 4191/4885 |
| US-20070244084-A1 | METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE | NPEPPS, DHPS, NISCH | CHRM2 3934/4885HTR1A 1347/4885ADRA2A 4191/4885 |
| US-20080312205-A1 | METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE | NPEPPS, DHPS, NISCH | CHRM2 3934/4885HTR1A 1347/4885ADRA2A 4191/4885 |
| US-20110118481-A1 | METHOD FOR PREPARING AZETIDINE DERIVATIVES | QDPR, AZI2, NISCH | CHRM2 2313/4885HTR1A 305/4885ADRA2A 184/4885 |
“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.