Iodide

Iodide

SCHEMBL4243935

C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1C(=O)OCc1ccccc1.[I-]

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 18/20 0.62
CHRM1 known ✓ P11229 5/20 0.61
CHRM2 P08172 5/20 0.61
KCNH2 Q12809 1/20 0.61

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
SCHEMBL13805515 0.99 CHRM3 (0.62) CHRM3CHRM2CHRM1KCNH2
SCHEMBL12725399 0.93 CHRM3 (0.62) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1630607 0.92 CHRM3 (0.73) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1630612 0.90 CHRM3 (0.58) CHRM3CHRM2CHRM1KCNH2
SCHEMBL13805519 0.88 CHRM3 (0.69) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1632345 0.85 CHRM3 (0.60) CHRM3CHRM2CHRM1KCNH2
SCHEMBL4218341 0.84 CHRM3 (0.67) CHRM3CHRM2CHRM1KCNH2
SCHEMBL13805520 0.84 CHRM2 (0.70) CHRM3CHRM2CHRM1KCNH2
Trifluoroacetic Acid SCHEMBL4232308 0.84 CHRM2 (0.71) CHRM3CHRM2CHRM1KCNH2
Trifluoroacetic Acid SCHEMBL4232310 0.83 CHRM2 (0.69) CHRM3CHRM2CHRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090142279-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-04 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-20090142279-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 CHRM3 1/4885CHRM1 8/4885CHRM2 2/4885

“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.