Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 20/20 | 0.92 |
| ▸ | CHRM2 known ✓ | P08172 | 16/20 | 0.92 |
| ▸ | CHRM1 known ✓ | P11229 | 16/20 | 0.92 |
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.72 |
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.72 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.72 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.72 |
| ▸ | TACR1 | P25103 | 2/20 | 0.72 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.72 |
| ▸ | HRH1 | P35367 | 2/20 | 0.72 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.72 |
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 SCHEMBL4558111 | 1.00 | CHRM3 (0.92) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL5978127 | 0.99 | CHRM3 (0.92) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL2360201 | 0.99 | CHRM3 (0.92) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Bromide SCHEMBL1235365 | 0.96 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Bromide SCHEMBL1234906 | 0.96 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Bromide SCHEMBL1234717 | 0.96 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL5977160 | 0.95 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL5979178 | 0.95 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL5976377 | 0.95 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL5978626 | 0.94 | CHRM3 (0.98) | CHRM3CHRM2CHRM1CHRM4CHRM5 |
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 179 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7893087-B2 | 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis | ALMIRALL, S.A. (ES) | 2011-02-22 | — | — | US | claimed |
| US-20100234332-A1 | NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | PRAT QUINONES MARIA | 2010-09-16 | — | — | US | claimed |
| US-20100029732-A1 | Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone | ASTRAZENECA AB (SE) | 2010-02-04 | — | — | US | claimed |
| EP-2125728-A1 | NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA | AstraZeneca AB (SE) | 2009-12-02 | — | — | EP | claimed |
| EP-2117542-A1 | COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE | AstraZeneca AB (SE) | 2009-11-18 | — | — | EP | claimed |
| WO-2009037503-A2 | NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES | ASTRAZENECA AB (SE) | 2009-03-26 | — | — | WO | claimed |
| US-20080242649-A1 | New Combination 665 | ASTRAZENECA AB (SE) | 2008-10-02 | — | — | US | claimed |
| WO-2008103125-A1 | NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA | ASTRAZENECA AB (SE) | 2008-08-28 | — | — | WO | claimed |
| WO-2008096111-A1 | COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE | ASTRAZENECA AB (SE) | 2008-08-14 | — | — | WO | claimed |
| WO-2008096121-A1 | COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE | ASTRAZENECA AB (SE) | 2008-08-14 | — | — | WO | claimed |
| US-20070129398-A1 | Novel quinuclidine derivatives and medicinal compositions containing the same | ALMIRALL, S.A. (ES) | 2007-06-07 | — | — | US | claimed |
| US-20070105897-A1 | Novel quinuclidine derivatives and medicinal compositions containing the same | ALMIRALL, S.A. (ES) | 2007-05-10 | — | — | US | claimed |
| US-7122558-B2 | Quinuclidine derivatives and medicinal compositions containing the same | ALMIRALL PRODESFARMA AG (CH) | 2006-10-17 | — | — | US | claimed |
| EP-1353919-B1 | NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | ALMIRALL PRODESFARMA AG (CH) | 2006-07-26 | — | — | EP | claimed |
| US-20040072863-A1 | Novel quinuclidine derivatives and medicinal compositions containing the same | ALMIRALL, S.A. (ES) | 2004-04-15 | — | — | US | claimed |
| EP-1353919-A2 | NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | Almirall Prodesfarma AG (CH) | 2003-10-22 | — | — | EP | claimed |
| WO-2002053564-A2 | QUINUCLIDINE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS | ALMIRALL PRODESFARMA AG (CH) | 2002-07-11 | — | — | WO | claimed |
| US-10994082-B2 | Inhaler counter | ASTRAZENECA AB (SE) | 2021-05-04 | — | — | US | disclosed |
| EP-1353919-A2 | NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | Almirall Prodesfarma AG (CH) | 2003-10-22 | — | — | EP | disclosed |
| WO-2002053564-A2 | QUINUCLIDINE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS | ALMIRALL PRODESFARMA AG (CH) | 2002-07-11 | — | — | WO | 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 (6 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-20070129398-A1 | Novel quinuclidine derivatives and medicinal compositions containing the same | NR0B1, NR2C2, NR1I3 | CHRM3 15/4885CHRM2 35/4885CHRM1 41/4885 |
| US-20100234332-A1 | NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | NR0B1, NR4A1, NR0B2 | CHRM3 12/4885CHRM2 28/4885CHRM1 26/4885 |
| US-20040072863-A1 | Novel quinuclidine derivatives and medicinal compositions containing the same | CYP11B1, CYP3A7, CBR1 | CHRM3 26/4885CHRM2 36/4885CHRM1 23/4885 |
| US-20070105897-A1 | Novel quinuclidine derivatives and medicinal compositions containing the same | NR0B1, NR4A1, NR0B2 | CHRM3 9/4885CHRM2 28/4885CHRM1 23/4885 |
| US-20080242649-A1 | New Combination 665 | NR3C2, PTGER2, GRK5 | CHRM3 90/4885CHRM2 173/4885CHRM1 150/4885 |
| US-20100029732-A1 | Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone | NR3C2, NR3C1, ARRB1 | CHRM3 108/4885CHRM2 156/4885CHRM1 150/4885 |
“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.