Bromide

Bromide

SCHEMBL8512342

CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC1C[N+]2(CC(=O)c3ccccc3)CCC1CC2.[Br-]

nearest known ligand 0.47

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 12)

geneUniProtsupporting neighboursconfidence
HRH2 known ✓ P25021 1/20 0.43
YAP1 P46937 4/20 0.47
BCL2 P10415 3/20 0.46
PTPN1 P18031 2/20 0.45
KLK7 P49862 5/20 0.44
KLK5 Q9Y337 3/20 0.44
ACE P12821 1/20 0.43
HRH1 P35367 1/20 0.43
PPARG P37231 1/20 0.42
MCL1 Q07820 1/20 0.41
REN P00797 1/20 0.41
HDAC8 Q9BY41 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 SCHEMBL8511984 1.00 YAP1 (0.47) YAP1BCL2PTPN1KLK7KLK5
Bromide SCHEMBL8509179 0.93 CTSS (0.44) KLK7KLK5ACEHRH2HRH1
Bromide SCHEMBL8509184 0.93 CTSS (0.44) KLK7KLK5ACEHRH2HRH1
SCHEMBL9289986 0.92 CTSS (0.45) KLK7KLK5ACEHRH2HRH1
Bromide SCHEMBL8509794 0.92 CTSS (0.44) KLK7KLK5ACEPPARG
Bromide SCHEMBL8509792 0.92 CTSS (0.44) KLK7KLK5ACEPPARG
SCHEMBL8509388 0.91 CTSS (0.45) KLK7KLK5ACEPPARG
SCHEMBL8509384 0.91 CTSS (0.45) KLK7KLK5ACEPPARG
SCHEMBL9289904 0.89 CACNA1B (0.48) KLK7KLK5HRH2HRH1HDAC8
Bromide SCHEMBL2991488 0.84 CHRM3 (0.54) HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643295-B1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMA SPA (IT) 2016-04-13 EP disclosed
US-8772314-B2 Glycine derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-07-08 US disclosed
EP-2643295-A1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS Chiesi Farmaceutici S.p.A. (IT) 2013-10-02 EP disclosed
WO-2012069275-A1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 WO disclosed
US-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 US 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 (1 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-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, GLRB, CHRNG HRH2 182/4885YAP1 4230/4885BCL2 4370/4885

“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.