Bromide

Bromide

SCHEMBL4526530

C[N+](C)(C)CCCOC(=O)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1.[Br-]

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

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 6)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 18/20 0.52
CHRM1 known ✓ P11229 18/20 0.52
CHRM3 known ✓ P20309 17/20 0.52
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51
LMNA P02545 1/20 0.48

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.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL4524905 0.94 CHRM2 (0.55) CHRM2CHRM1CHRM3SLC6A3KCNH2
Bromide SCHEMBL4515778 0.89 CHRM2 (0.47) CHRM2CHRM1CHRM3SLC6A3KCNH2
SCHEMBL6400842 0.85 CHRM2 (0.62) CHRM2CHRM1CHRM3
SCHEMBL6401754 0.84 CHRM2 (0.61) CHRM2CHRM1CHRM3
SCHEMBL4509625 0.84 CHRM2 (0.63) CHRM2CHRM1CHRM3
SCHEMBL6399727 0.83 CHRM2 (0.61) CHRM2CHRM1CHRM3
SCHEMBL6399684 0.81 CHRM2 (0.66) CHRM2CHRM1CHRM3
SCHEMBL6401028 0.81 CHRM2 (0.52) CHRM2CHRM1CHRM3
SCHEMBL6401869 0.80 CHRM2 (0.51) CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL6400235 0.80 CHRM2 (0.52) CHRM2CHRM1CHRM3

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504432-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-03-17 US disclosed
US-20070129397-A1 Ester derivatives MSD K.K. (JP) 2007-06-07 US disclosed
US-7192969-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20050065211-A1 Ester derivatives MSD K.K. (JP) 2005-03-24 US disclosed
US-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 US disclosed
EP-1302458-A1 ESTER DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP 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 (3 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070129397-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20050065211-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885

“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.