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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12105263 | 0.98 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3DRD2 | |
| SCHEMBL11801980 | 0.78 | CHRNB2 (0.37) | CHRNB2CHRNA4DYRK1A | |
| SCHEMBL31137548 | 0.78 | CHRNB2 (0.50) | CHRNB2CHRNA4TMEM97 | |
| SCHEMBL31136761 | 0.78 | CHRNB2 (0.50) | CHRNB2CHRNA4TMEM97 | |
| SCHEMBL11574642 | 0.74 | CHRNB4 (0.43) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL1207004 | 0.74 | MEN1 (0.52) | CHRNB2CHRNA4CHRNB4CHRNA3TMEM97 | |
| SCHEMBL31513901 | 0.74 | CHRNB2 (0.55) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL31136505 | 0.74 | CHRNB2 (0.55) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL6995541 | 0.74 | CHRNB2 (0.68) | CHRNB2CHRNA4CHRNB4CHRNA3DYRK1A | |
| SCHEMBL18099213 | 0.71 | CHRNB2 (0.50) | CHRNB2CHRNA4TMEM97 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2220048-B1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INT (DE) | 2017-01-25 | — | — | EP | disclosed |
| EP-2288596-B1 | ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INT (DE) | 2016-11-30 | — | — | EP | disclosed |
| US-9073870-B2 | Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-07-07 | — | — | US | disclosed |
| US-8859580-B2 | Aryl- and heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-10-14 | — | — | US | disclosed |
| US-8765780-B2 | Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-01 | — | — | US | disclosed |
| US-20140179669-A1 | Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-06-26 | — | — | US | disclosed |
| US-20110269791-A1 | Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-03 | — | — | US | disclosed |
| EP-2245014-B1 | UREA DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INT (DE) | 2011-11-02 | — | — | EP | disclosed |
| US-20110190262-A1 | Aryl-and Heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | US | disclosed |
| US-20110028445-A1 | Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-03 | — | — | 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-20140179669-A1 | Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use | HSD11B1, CYP11B1, CYP46A1 | CHRNB2 1958/4885CHRNA4 2104/4885CHRNB4 2126/4885 |
| US-20110028445-A1 | Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use | XDH, HSD11B1, HSD3B1 | CHRNB2 2940/4885CHRNA4 3121/4885CHRNB4 2892/4885 |
| US-20110190262-A1 | Aryl-and Heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use | HSD3B1, CYP11B1, HSD11B1 | CHRNB2 2687/4885CHRNA4 3090/4885CHRNB4 2886/4885 |
| US-20110269791-A1 | Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use | HSD11B1, CYP46A1, HSD11B2 | CHRNB2 2009/4885CHRNA4 2177/4885CHRNB4 2124/4885 |
“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.