Bromide

Bromide

SCHEMBL4528664

C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccc(F)cc2)[C@@H]2CCC(F)(F)C2)C1.[Br-]

nearest known ligand 0.58

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 13)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 17/20 0.58
CHRM2 known ✓ P08172 11/20 0.58
CHRM1 known ✓ P11229 4/20 0.58
CHRM4 known ✓ P08173 1/20 0.58
CHRM5 known ✓ P08912 1/20 0.58
KCNH2 Q12809 2/20 0.58
HRH1 P35367 1/20 0.58
HTR2B P41595 1/20 0.58
SLC22A1 O15245 1/20 0.43
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A4 P31645 1/20 0.41

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 SCHEMBL4513565 1.00 CHRM3 (0.58) CHRM3CHRM2CHRM1KCNH2CHRM4
Bromide SCHEMBL4525650 0.96 CHRM3 (0.52) CHRM3CHRM2CHRM1KCNH2CHRM4
Bromide SCHEMBL4523696 0.92 CHRM3 (0.58) CHRM3CHRM2CHRM1KCNH2CHRM4
Bromide SCHEMBL4534435 0.92 CHRM3 (0.58) CHRM3CHRM2CHRM1KCNH2CHRM4
Bromide SCHEMBL4534612 0.92 CHRM3 (0.58) CHRM3CHRM2CHRM1KCNH2CHRM4
Bromide SCHEMBL5478817 0.91 CHRM3 (0.57) CHRM3CHRM2CHRM1KCNH2CHRM4
Bromide SCHEMBL4510354 0.91 CHRM3 (0.57) CHRM3CHRM2CHRM1KCNH2CHRM4
Bromide SCHEMBL4560072 0.89 CHRM3 (0.51) CHRM3CHRM2CHRM1KCNH2CHRM4
Bromide SCHEMBL4528532 0.89 CHRM3 (0.51) CHRM3CHRM2CHRM1KCNH2CHRM4
Bromide SCHEMBL4526614 0.88 CHRM3 (0.50) CHRM3CHRM2CHRM1KCNH2CHRM4

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 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885
US-20050065211-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885

“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.