Bromide

Bromide

SCHEMBL8513155

CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O[C@H]1C[N+]2(CC(=O)c3ccccc3)CCC1CC2.[Br-]

nearest known ligand 0.57

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 11)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.57
TACR1 P25103 2/20 0.52
CTSL P07711 2/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
CCKAR P32238 2/20 0.48
ACE P12821 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
CCKBR P32239 1/20 0.47
KLK5 Q9Y337 1/20 0.47

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
SCHEMBL8509946 0.99 KLK7 (0.58) KLK7TACR1CTSLCTSSCTSK
Bromide SCHEMBL8509179 0.86 CTSS (0.44) KLK7CTSLCTSSCTSKACE
Bromide SCHEMBL8509184 0.86 CTSS (0.44) KLK7CTSLCTSSCTSKACE
SCHEMBL9289986 0.85 CTSS (0.45) KLK7CTSLCTSSCTSKACE
Bromide SCHEMBL8509792 0.83 CTSS (0.44) KLK7CTSLCTSSCTSKACE
Bromide SCHEMBL8509794 0.83 CTSS (0.44) KLK7CTSLCTSSCTSKACE
SCHEMBL8509388 0.82 CTSS (0.45) KLK7CTSLCTSSCTSKACE
SCHEMBL8509384 0.82 CTSS (0.45) KLK7CTSLCTSSCTSKACE
SCHEMBL8509367 0.81 KLK7 (0.63) KLK7TACR1CTSLCTSSCTSK
SCHEMBL8509371 0.81 KLK7 (0.63) KLK7TACR1CTSLCTSSCTSK

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 KLK7 2641/4885TACR1 115/4885CTSL 3619/4885

“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.