Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL4246799

CC(C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)C1CCC1.[I-]

nearest known ligand 0.93

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 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 known ✓ P20309 18/20 0.93
▸ CHRM1 known ✓ P11229 2/20 0.59
▸ CHRM2 P08172 4/20 0.60
▸ CHRM4 P08173 2/20 0.59
▸ CHRM5 P08912 2/20 0.59
▸ HRH1 P35367 1/20 0.59
▸ HTR2B P41595 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ LMNA P02545 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL13701458 0.99 CHRM3 (0.95) CHRM3CHRM2CHRM4CHRM5CHRM1
Iodide SCHEMBL4285841 0.97 CHRM3 (0.97) CHRM3CHRM2CHRM4CHRM5CHRM1
Iodide SCHEMBL4240187 0.97 CHRM3 (0.97) CHRM3CHRM2CHRM4CHRM5CHRM1
Iodide SCHEMBL4238812 0.97 CHRM3 (0.97) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL13701450 0.96 CHRM3 (1.00) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL13701452 0.96 CHRM3 (1.00) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL27749349 0.96 CHRM3 (1.00) CHRM3CHRM2CHRM4CHRM5CHRM1
Iodide SCHEMBL4238898 0.95 CHRM3 (0.88) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL13701454 0.94 CHRM3 (0.90) CHRM3CHRM2CHRM4CHRM5CHRM1
Iodide SCHEMBL4211301 0.91 CHRM3 (0.98) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 — — US disclosed
EP-2013172-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER AstraZeneca AB (SE) 2009-01-14 — — EP disclosed
WO-2007123465-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-11-01 — — WO 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-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM1 3/4885CHRM2 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.