SCHEMBL6574111

SCHEMBL6574111

COC(=O)c1cccc(C(CO)OC(=O)OC2C[N+]3(C)CCC2CC3)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.41
CHRM2 P08172 7/20 0.41
CHRM1 P11229 6/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
RGS12 O14924 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL6578316 0.82 TSHR (0.50) CHRM3CHRM2CHRM1CYP2D6BCHE
SCHEMBL6578254 0.80 CHRM2 (0.52) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL6574095 0.76 CHRM2 (0.50) CHRM3CHRM2CHRM1CYP2D6CHRM4
SCHEMBL231643 0.73 CHRM3 (0.47) CHRM3CHRM2CHRM1CYP2D6CHRM4
SCHEMBL6574169 0.70 CHRM2 (0.50) CHRM3CHRM2CHRM1CYP2D6CHRM4
SCHEMBL16956227 0.65 CYP4F2 (0.54) CYP2D6CYP4F2CYP4A11
SCHEMBL9359858 0.65 CYP4F2 (0.54) CYP2D6CYP4F2CYP4A11
SCHEMBL228830 0.65 CHRM2 (0.54) CHRM3CHRM2CHRM1CYP2D6CHRM4
SCHEMBL6340138 0.64 LOXL2 (0.54) CYP4F2CYP4A11
SCHEMBL28523575 0.64 LOXL2 (0.54) CYP4F2CYP4A11

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
EP-1383730-A2 ANTICHOLINERGIC COMPOUNDS AND METHODS OF USE Aryx Therapeutics (US) 2004-01-28 EP claimed
WO-2002096855-A2 ANTICHOLINERGIC COMPOUNDS AND METHODS OF USE ARYX THERAPEUTICS (US) 2002-12-05 WO claimed
US-20020169208-A1 Novel anticholinergic compounds and methods of use ARYX THERAPEUTICS 2002-11-14 US claimed
EP-1383730-A2 ANTICHOLINERGIC COMPOUNDS AND METHODS OF USE Aryx Therapeutics (US) 2004-01-28 EP disclosed
WO-2002096855-A2 ANTICHOLINERGIC COMPOUNDS AND METHODS OF USE ARYX THERAPEUTICS (US) 2002-12-05 WO disclosed
US-20020169208-A1 Novel anticholinergic compounds and methods of use ARYX THERAPEUTICS 2002-11-14 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-20020169208-A1 Novel anticholinergic compounds and methods of use CHRM3, CHRM5, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 9/4885

“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.