Iodide

Iodide

SCHEMBL4094583

C[N+]12CCC(CC1)[C@@H](OC(=O)N(Cc1ccc(F)cc1)c1ccccc1)C2.[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 7)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 19/20 0.65
CHRM3 known ✓ P20309 19/20 0.65
ACHE known ✓ P22303 1/20 0.49
CHRM2 P08172 19/20 0.65
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
BCHE P06276 1/20 0.49

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 SCHEMBL1925662 0.93 CHRM2 (0.71) CHRM2CHRM1CHRM3BCHEACHE
Iodide SCHEMBL1925665 0.93 CHRM2 (0.71) CHRM2CHRM1CHRM3BCHEACHE
SCHEMBL1924969 0.92 CHRM2 (0.72) CHRM2CHRM1CHRM3
SCHEMBL1924968 0.92 CHRM2 (0.72) CHRM2CHRM1CHRM3
Iodide SCHEMBL4090719 0.90 CHRM2 (0.55) CHRM2CHRM1CHRM3BCHEACHE
SCHEMBL5011136 0.85 CHRM2 (0.71) CHRM2CHRM1CHRM3
SCHEMBL5009357 0.84 CHRM2 (0.86) CHRM2CHRM1CHRM3
Iodide SCHEMBL1924830 0.84 CHRM2 (0.55) CHRM2CHRM1CHRM3CHRM4CHRM5
Iodide SCHEMBL1924832 0.84 CHRM2 (0.55) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL5006971 0.83 CHRM2 (0.89) CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435742-B2 Quinuclidine derivatives and pharmaceutical compositions containing the same LABORATORIOS ALMIRALL S.A. (ES) 2008-10-14 US claimed
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL, S.A. (ES) 2006-05-04 US claimed
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-02-26 US disclosed
US-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-01-01 US disclosed
US-7435742-B2 Quinuclidine derivatives and pharmaceutical compositions containing the same LABORATORIOS ALMIRALL S.A. (ES) 2008-10-14 US disclosed
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL, S.A. (ES) 2006-05-04 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 (3 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-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 CHRM1 3/4885CHRM3 1/4885ACHE 22/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 CHRM1 3/4885CHRM3 1/4885ACHE 20/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 CHRM1 3/4885CHRM3 1/4885ACHE 22/4885

“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.