Bromide

Bromide

SCHEMBL2794178

CCCC[n+]1ccn(CCCOC(=O)[C@](O)(c2ccccc2)[C@H]2CCCC(F)(F)C2)c1C.[Br-]

nearest known ligand 0.45

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
CHRM2 known ✓ P08172 12/20 0.40
CHRM1 known ✓ P11229 12/20 0.40
CHRM3 known ✓ P20309 10/20 0.38
CHRM4 known ✓ P08173 1/20 0.38
CHRM5 known ✓ P08912 1/20 0.38
OPRM1 known ✓ P35372 1/20 0.38
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.41
KCNH2 Q12809 3/20 0.40
SLC6A3 Q01959 2/20 0.40
POLB P06746 1/20 0.40
HRH1 P35367 1/20 0.38
SLC29A1 Q99808 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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 SCHEMBL3679014 1.00 HTT (0.45) HTTALDH1A1CHRM2CHRM1KCNH2
Bromide SCHEMBL2796363 0.98 HTT (0.45) HTTALDH1A1CHRM2CHRM1KCNH2
Bromide SCHEMBL3676930 0.98 HTT (0.45) HTTALDH1A1CHRM2CHRM1KCNH2
SCHEMBL4448190 0.97 HTT (0.45) HTTALDH1A1CHRM2CHRM1KCNH2
Bromide SCHEMBL2797746 0.96 HTT (0.46) HTTALDH1A1CHRM2CHRM1KCNH2
Bromide SCHEMBL2792073 0.96 HTT (0.42) HTTALDH1A1CHRM2CHRM1KCNH2
Bromide SCHEMBL2792719 0.96 HTT (0.46) HTTALDH1A1CHRM2CHRM1KCNH2
Bromide SCHEMBL2792277 0.95 HTT (0.43) HTTCHRM2CHRM1CHRM3
Bromide SCHEMBL2794478 0.95 HTT (0.43) HTTCHRM2CHRM1CHRM3
Bromide SCHEMBL2795785 0.94 HTT (0.42) HTTALDH1A1CHRM2CHRM1KCNH2

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 6 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-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 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 (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 CHRM2 3/4885CHRM1 5/4885CHRM3 1/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CHRM2 84/4885CHRM1 158/4885CHRM3 88/4885

“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.