Iodide

Iodide

SCHEMBL2170583

CC(C)(C)c1cn(C[C@H]2CCCO2)c(=N)s1.I

nearest known ligand 0.44

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 1)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.44

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 SCHEMBL2170588 1.00 CNR2 (0.44) CNR2
SCHEMBL944178 0.99 CNR2 (0.44) CNR2
SCHEMBL3386311 0.99 CNR2 (0.44) CNR2
SCHEMBL944177 0.99 CNR2 (0.44) CNR2
SCHEMBL3217404 0.86 CNR2 (0.37) CNR2
SCHEMBL3217392 0.86 CNR2 (0.37) CNR2
SCHEMBL943969 0.83 KDM4E (0.44) CNR2
SCHEMBL944233 0.81 KMT2A (0.41) CNR2
SCHEMBL3386784 0.81 ALDH1A1 (0.41) CNR2
SCHEMBL944234 0.81 KMT2A (0.41) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546242-B1 Cannabinoid receptor ligands ABBVIE INC (US) 2016-03-30 EP disclosed
EP-2457903-B1 Cannabinoid receptor ligands ABBVIE INC (US) 2016-01-13 EP disclosed
EP-2546241-B1 Cannabinoid receptor ligands ABBVIE INC (US) 2015-06-17 EP disclosed
US-8846730-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-09-30 US disclosed
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
EP-2546241-A1 Cannabinoid receptor ligands Abbott Laboratories (US) 2013-01-16 EP disclosed
EP-2457903-A1 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-05-30 EP disclosed
EP-2346843-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-07-27 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
US-20100063022-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-11 US disclosed
WO-2010028338-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-11 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 (2 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885
US-20100063022-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R CNR2 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.