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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 7/20 | 0.48 |
| ▸ | CHRM2 known ✓ | P08172 | 6/20 | 0.48 |
| ▸ | CHRM3 known ✓ | P20309 | 5/20 | 0.36 |
| ▸ | CHRM4 known ✓ | P08173 | 4/20 | 0.35 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CFD | P00746 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4662279 | 0.99 | CHRM2 (0.48) | CHRM1CHRM2ALDH1A1CFDCHRM3 | |
| Bromide SCHEMBL4661215 | 0.84 | CHRM1 (0.68) | CHRM1CHRM2ALDH1A1CHRM3CYP2D6 | |
| SCHEMBL4662576 | 0.83 | CHRM2 (0.42) | CHRM1CHRM2ALDH1A1CHRM3CYP2D6 | |
| SCHEMBL4662321 | 0.83 | CHRM1 (0.69) | CHRM1CHRM2ALDH1A1CHRM3CYP2D6 | |
| Iodide SCHEMBL4661193 | 0.82 | CHRM2 (0.41) | CHRM1CHRM2ALDH1A1CHRM3CYP2D6 | |
| SCHEMBL13980090 | 0.81 | CHRM2 (0.72) | CHRM1CHRM2ALDH1A1CFDCHRM3 | |
| SCHEMBL3690034 | 0.81 | CHRM2 (0.72) | CHRM1CHRM2ALDH1A1CFDCHRM3 | |
| SCHEMBL4662587 | 0.78 | CHRM2 (0.52) | CHRM1CHRM2ALDH1A1CHRM3CYP2D6 | |
| Iodide SCHEMBL4661017 | 0.77 | CHRM2 (0.51) | CHRM1CHRM2ALDH1A1CHRM3CYP2D6 | |
| SCHEMBL2166331 | 0.76 | CHRM2 (0.81) | CHRM1CHRM2ALDH1A1CHRM3LMNA |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1461306-B1 | QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN CO LLC (US) | 2008-12-24 | — | — | EP | claimed |
| EP-1620083-A2 | COMBINATION THERAPIES | Pharmacia & Upjohn Company LLC (US) | 2006-02-01 | — | — | EP | claimed |
| US-6890920-B2 | Quaternary ammonium compounds | PHARMACIA & UPJOHN COMPANY (US) | 2005-05-10 | — | — | US | claimed |
| US-20040220224-A1 | Method of treating irritable bowel syndrome | PFIZER INC | 2004-11-04 | — | — | US | claimed |
| WO-2004091596-A2 | COMBINATION THERAPIES FOR CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-10-28 | — | — | WO | claimed |
| WO-2004091597-A2 | METHOD OF TREATING IRRITABLE BOWEL SYNDROME (IBS) | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-10-28 | — | — | WO | claimed |
| US-20040209916-A1 | Combination therapies | PFIZER INC | 2004-10-21 | — | — | US | claimed |
| US-20030158176-A1 | Quaternary ammonium compounds | PHARMACIA & UPJOHN COMPANY | 2003-08-21 | — | — | US | claimed |
| EP-1461306-B1 | QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN CO LLC (US) | 2008-12-24 | — | — | EP | disclosed |
| US-7439397-B2 | reacting methyl bromide and 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-(trifluoromethyl) phenol; formation of (3R)-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-N,N-diisopropyl-N-methyl-3-phenylpropan-1-aminium bromide; asthma, chronic obstructive pulmonary disorder, allergic and infectious rhinitis | PFIZER INC (US) | 2008-10-21 | — | — | US | disclosed |
| US-20050148672-A1 | Quaternary ammonium compounds | RICHARDS IVAN (US) | 2005-07-07 | — | — | US | disclosed |
| US-6890920-B2 | Quaternary ammonium compounds | PHARMACIA & UPJOHN COMPANY (US) | 2005-05-10 | — | — | US | disclosed |
| US-20040220224-A1 | Method of treating irritable bowel syndrome | PFIZER INC | 2004-11-04 | — | — | US | disclosed |
| WO-2004091597-A2 | METHOD OF TREATING IRRITABLE BOWEL SYNDROME (IBS) | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-10-28 | — | — | WO | disclosed |
| US-20040209916-A1 | Combination therapies | PFIZER INC | 2004-10-21 | — | — | US | disclosed |
| US-20030158176-A1 | Quaternary ammonium compounds | PHARMACIA & UPJOHN COMPANY | 2003-08-21 | — | — | 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-20040209916-A1 | Combination therapies | ADRA2C, ADRB2, ADRA2A | CHRM1 33/4885CHRM2 30/4885CHRM3 32/4885 |
| US-20030158176-A1 | Quaternary ammonium compounds | CLIC1, CLIC4, CORO1C | CHRM1 27/4885CHRM2 157/4885CHRM3 129/4885 |
| US-20050148672-A1 | Quaternary ammonium compounds | BET1, EP300, BRD4 | CHRM1 985/4885CHRM2 2552/4885CHRM3 2026/4885 |
| US-20040220224-A1 | Method of treating irritable bowel syndrome | SI, VIP, SLC10A2 | CHRM1 1033/4885CHRM2 950/4885CHRM3 897/4885 |
“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.