Iodide

Iodide

SCHEMBL3455248

CN[C@H](C)C/C=C/c1cncnc1.I

nearest known ligand 0.65

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 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.65
CHRNA4 P43681 4/20 0.65
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA7 P36544 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 3/20 0.33

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 SCHEMBL3455134 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Iodide SCHEMBL3455251 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Iodide SCHEMBL3455132 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Iodide SCHEMBL3455130 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL620187 0.98 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2436966 0.98 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2436962 0.98 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL621573 0.98 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL621574 0.98 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL620186 0.98 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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
JP-2006511482-A 2006-04-06 JP claimed
EP-1556352-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2005-07-27 EP claimed
WO-2004031151-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-04-15 WO claimed
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders TARGACEPT, INC. 2003-07-03 US claimed
EP-2253616-A1 Process for the preparation of compounds capable of activating cholinergic receptors Targacept, Inc. (US) 2010-11-24 EP 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-20030125345-A1 Nicotinic compounds; treating central nervous system disorders SLC6A2, CHRNA6, CHRNA10 CHRNB2 9/4885CHRNA4 7/4885CHRNB4 14/4885

“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.