Iodide

Iodide

SCHEMBL5386794

C[N+]1(C)CC[C@H](OC(=O)Cc2cccc(C3CCCC3)c2O)C1.[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 20)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 14/20 0.42
CHRM1 known ✓ P11229 3/20 0.41
CHRM2 P08172 10/20 0.42
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
KCNH2 Q12809 2/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
LMNA P02545 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A4 P31645 1/20 0.37
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
THRB P10828 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
SLC22A1 O15245 1/20 0.36

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
SCHEMBL1707214 0.99 CHRM3 (0.42) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL2340421 0.99 CHRM3 (0.42) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL5473748 0.99 CHRM3 (0.42) CHRM3CHRM2CHRM4CHRM5CHRM1
Bromide SCHEMBL417945 0.98 CHRM3 (0.43) CHRM3CHRM2CHRM4CHRM5CHRM1
Bromide SCHEMBL2335688 0.98 CHRM3 (0.43) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL8449813 0.98 CHRM3 (0.42) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL7143841 0.98 CHRM3 (0.42) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL7142072 0.98 CHRM3 (0.42) CHRM3CHRM2CHRM4CHRM5CHRM1
Bromide SCHEMBL1996228 0.98 CHRM3 (0.43) CHRM3CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL1997630 0.98 CHRM3 (0.42) CHRM3CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253182-B2 Enantiomerically pure basic arylcycloalkylhydroxycarboxylic esters, processes for their preparation and their use in medicaments SOFOTEC GMBH & CO. KG (DE) 2007-08-07 US disclosed
US-6613795-B2 Respiratory system disorders; muscle relaxants Noe, Christian (DE) 2003-09-02 US disclosed
US-20020173536-A1 Enantiomerically pure basic arylcycloalkylhydroxycarboxylic esters, processes for their preparation and their use in medicaments CHRISTIAN NOE AND ERNST MUTSCHLER 2002-11-21 US disclosed
US-6307060-B1 ANTISPASMODIC AGENTS Noe, Christian 2001-10-23 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-20020173536-A1 Enantiomerically pure basic arylcycloalkylhydroxycarboxylic esters, processes for their preparation and their use in medicaments CYP2A13, CYP3A43, HCAR2 CHRM3 725/4885CHRM1 1273/4885CHRM2 861/4885

“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.