Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL4094587

C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccccc1Cc1ccc(F)cc1)C2.[I-]

nearest known ligand 0.55

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 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 known ✓ P20309 9/20 0.55
▸ CHRM1 known ✓ P11229 8/20 0.55
▸ ACHE known ✓ P22303 1/20 0.40
▸ CHRM2 P08172 9/20 0.55
▸ CYP2D6 P10635 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ RGS12 O14924 1/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ BCHE P06276 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 1/20 0.38

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 SCHEMBL4090662 0.92 CHRM2 (0.58) CHRM2CHRM3CHRM1CYP2D6CHRM4
SCHEMBL6231206 0.91 CHRM2 (0.59) CHRM2CHRM3CHRM1CYP2D6CHRM4
SCHEMBL5009359 0.85 CHRM3 (0.52) CHRM2CHRM3CHRM1
SCHEMBL5011140 0.85 CHRM3 (0.50) CHRM2CHRM3CHRM1
SCHEMBL5009288 0.84 CHRM3 (0.43) CHRM2CHRM3CHRM1
SCHEMBL5007128 0.83 CHRM3 (0.47) CHRM2CHRM3CHRM1
SCHEMBL5006972 0.83 CHRM3 (0.53) CHRM2CHRM3CHRM1
SCHEMBL5007149 0.83 CHRM3 (0.51) CHRM2CHRM3CHRM1
SCHEMBL5011304 0.82 CHRM3 (0.44) CHRM2CHRM3CHRM1
SCHEMBL5003449 0.82 CHRM3 (0.46) CHRM2CHRM3CHRM1

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 CHRM3 1/4885CHRM1 3/4885ACHE 22/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM1 3/4885ACHE 20/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM1 3/4885ACHE 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.