Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL8509268

CC(C)(C)OC(=O)NC(C(=O)O[C@@H]1CC[N+](C)(CC(=O)c2ccccc2)C1)c1ccccc1.[Br-]

nearest known ligand 0.43

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 6/20 0.40
▸ CHRM2 known ✓ P08172 5/20 0.40
▸ CHRM1 known ✓ P11229 3/20 0.40
▸ CHRM4 known ✓ P08173 2/20 0.40
▸ CHRM5 known ✓ P08912 2/20 0.40
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ BLM P54132 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ THRB P10828 2/20 0.40
▸ PMP22 Q01453 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MMP2 P08253 2/20 0.37
▸ MMP9 P14780 2/20 0.37

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
SCHEMBL8513388 0.99 CTSS (0.44) CTSSCTSKCHRM3CHRM2BLM
Bromide SCHEMBL8512195 0.88 CTSK (0.39) CTSSCTSKCHRM3CHRM2BLM
SCHEMBL8509954 0.87 CTSK (0.40) CTSSCTSKCHRM3CHRM2BLM
Bromide SCHEMBL8509379 0.84 CHRNA7 (0.47) CTSSCTSKCHRM3CHRM2BLM
Bromide SCHEMBL17667733 0.84 CHRNA7 (0.47) CTSSCTSKCHRM3CHRM2BLM
Bromide SCHEMBL17667731 0.84 CHRNA7 (0.47) CTSSCTSKCHRM3CHRM2BLM
SCHEMBL13240917 0.83 CHRM2 (0.44) CHRM3CHRM2BLMLMNACHRM1
SCHEMBL16649331 0.83 CHRM2 (0.44) CHRM3CHRM2BLMLMNACHRM1
SCHEMBL16649330 0.83 CHRM2 (0.44) CHRM3CHRM2BLMLMNACHRM1
SCHEMBL9290358 0.83 CHRNA7 (0.48) CTSSCTSKCHRM3CHRM2BLM

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 CHRM3 1/4885CHRM2 4/4885CHRM1 10/4885

“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.