SCHEMBL7248305

SCHEMBL7248305

CC(C)N(CC[C@H](c1ccccc1O)c1ccccc1I)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 7/20 0.52
▸ CHRM2 P08172 4/20 0.52
▸ CHRM1 P11229 4/20 0.52
▸ HRH1 P35367 3/20 0.52
▸ CHRM5 P08912 2/20 0.52
▸ HTR2A P28223 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ CHRM4 P08173 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KCNE1 P15382 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ HRH2 P25021 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ KCNQ1 P51787 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ CACNA1C Q13936 1/20 0.52
▸ SCN5A Q14524 1/20 0.52

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
SCHEMBL8858842 0.91 CHRM3 (0.60) CHRM3CHRM2CHRM1HRH1CHRM5
Hydrochloric Acid SCHEMBL3928143 0.89 CHRM3 (0.58) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL15140847 0.85 CHRM3 (0.53) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL6939192 0.83 CHRM3 (0.72) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL4664069 0.83 CHRM3 (0.72) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL4662582 0.83 CHRM3 (0.72) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL15141230 0.82 CHRM3 (0.50) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL9229989 0.82 CHRM3 (0.70) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL9223163 0.80 CHRM3 (0.80) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL3922468 0.79 CHRM3 (0.59) CHRM3CHRM2CHRM1HRH1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158176-A1 Quaternary ammonium compounds PHARMACIA & UPJOHN COMPANY 2003-08-21 — — 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 (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-20030158176-A1 Quaternary ammonium compounds CLIC1, CLIC4, CORO1C CHRM3 129/4885CHRM2 157/4885CHRM1 27/4885

“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.

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