Iodide

Iodide

SCHEMBL663569

C[N+]1(C)CCC(OC(=O)Nc2ccc(CCC(=O)Nc3ccc(C=O)cc3)cc2-c2ccccc2)CC1.[I-]

nearest known ligand 0.42

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 5)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 18/20 0.42
CHRM1 known ✓ P11229 5/20 0.42
CHRM2 P08172 5/20 0.42
ADRB2 P07550 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38

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 SCHEMBL101032 0.95 CHRM3 (0.41) CHRM3CHRM2CHRM1ADRB2
Iodide SCHEMBL102604 0.92 CHRM3 (0.44) CHRM3CHRM2CHRM1
Iodide SCHEMBL99838 0.89 CHRM3 (0.40) CHRM3ADRB2
Iodide SCHEMBL100544 0.88 CHRM3 (0.39) CHRM3ADRB2
Iodide SCHEMBL100477 0.87 CHRM3 (0.43) CHRM3CHRM2CHRM1ADRB2
Iodide SCHEMBL99638 0.87 HCAR2 (0.45) CHRM3ADRB2HCAR2
Iodide SCHEMBL99852 0.85 CHRM3 (0.41) CHRM3CHRM2CHRM1ADRB2HCAR2
Iodide SCHEMBL101146 0.85 CHRM3 (0.43) CHRM3CHRM2CHRM1ADRB2
Iodide SCHEMBL101640 0.84 CHRM3 (0.42) CHRM3CHRM2CHRM1ADRB2HCAR2
Iodide SCHEMBL99704 0.84 CHRM3 (0.41) CHRM3CHRM2CHRM1ADRB2HCAR2

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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 US claimed

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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 CHRM3 9/4885CHRM1 25/4885CHRM2 15/4885

“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.