Bromide

Bromide

SCHEMBL2797247

Cc1n(CCCOC(=O)[C@](O)(c2ccccc2)[C@@H]2CCCC(F)(F)C2)cc[n+]1C.[Br-]

nearest known ligand 0.48

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 8)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 16/20 0.41
CHRM1 known ✓ P11229 16/20 0.41
CHRM3 known ✓ P20309 15/20 0.40
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.42
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 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
Iodide SCHEMBL2792393 0.98 HTT (0.48) HTTALDH1A1POLBCHRM2CHRM1
Bromide SCHEMBL2795428 0.98 HTT (0.45) HTTALDH1A1POLBCHRM2CHRM1
Bromide SCHEMBL2792674 0.95 HTT (0.45) HTTCHRM2CHRM1CHRM3
Bromide SCHEMBL2796438 0.95 ALDH1A1 (0.44) HTTALDH1A1POLBCHRM2CHRM1
Iodide SCHEMBL3045444 0.93 HTT (0.45) HTTCHRM2CHRM1CHRM3
Iodide SCHEMBL2793259 0.93 ALDH1A1 (0.44) HTTALDH1A1POLBCHRM2CHRM1
Iodide SCHEMBL3038880 0.93 HTT (0.45) HTTCHRM2CHRM1CHRM3
Bromide SCHEMBL2793783 0.93 CHRM2 (0.44) HTTCHRM2CHRM1CHRM3
Bromide SCHEMBL2797794 0.90 HTT (0.47) HTTALDH1A1POLBCHRM2CHRM1
Bromide SCHEMBL2795443 0.90 HTT (0.47) HTTALDH1A1POLBCHRM2CHRM1

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.