Bromide

Bromide

SCHEMBL2791902

CC[n+]1ccn(CCOC(=O)C(O)(c2cccs2)c2cccs2)c1C.[Br-]

nearest known ligand 0.38

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 20)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 13/20 0.38
CHRM2 known ✓ P08172 12/20 0.38
CHRM1 known ✓ P11229 10/20 0.38
CHRM4 known ✓ P08173 5/20 0.38
CHRM5 known ✓ P08912 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
ADRA1A P35348 3/20 0.35
HRH1 P35367 3/20 0.35
OPRK1 P41145 3/20 0.35
KCNH2 Q12809 3/20 0.35
TSPO P30536 1/20 0.35
PDE3A Q14432 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
ADRA2A P08913 2/20 0.33
ADRA2C P18825 2/20 0.33
TACR1 P25103 2/20 0.33
MEN1 O00255 1/20 0.32
EEF2K O00418 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4556351 0.99 CHRM3 (0.39) CHRM3CHRM2CHRM1CHRM4ALDH1A1
Bromide SCHEMBL2795792 0.94 CHRM3 (0.36) CHRM3CHRM2CHRM1CHRM4ALDH1A1
Bromide SCHEMBL2793787 0.88 CA1 (0.52) CHRM3CHRM2CHRM1CHRM4ALDH1A1
Bromide SCHEMBL2793840 0.88 ALDH1A1 (0.40) CHRM3CHRM2CHRM1CHRM4ALDH1A1
Bromide SCHEMBL2798000 0.87 CHRM3 (0.37) CHRM3CHRM2CHRM1CHRM4ALDH1A1
Bromide SCHEMBL2793813 0.87 CHRM3 (0.39) CHRM3CHRM2CHRM1CHRM4ALDH1A1
Bromide SCHEMBL2795514 0.86 CA1 (0.42) CHRM3CHRM2CHRM1CHRM4ALDH1A1
SCHEMBL4556284 0.86 CHRM3 (0.38) CHRM3CHRM2CHRM1CHRM4ALDH1A1
Bromide SCHEMBL2794003 0.84 ALDH1A1 (0.43) CHRM3CHRM2CHRM1CHRM4ALDH1A1
Bromide SCHEMBL2794358 0.84 CA1 (0.49) CHRM3CHRM2CHRM1CHRM4ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168197-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-07-01 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP claimed
US-20100168197-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-07-01 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-2129663-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-12-09 EP disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP disclosed
WO-2008104942-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-09-04 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 (2 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-20100168197-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 5/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CHRM3 88/4885CHRM2 84/4885CHRM1 158/4885

“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.