SCHEMBL6574018

SCHEMBL6574018

COC(=O)c1cccc(C(O)(C(=O)OC2CN3CCC2CC3)c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.73
CHRM2 P08172 4/20 0.73
CHRM1 P11229 4/20 0.73
CHRM4 P08173 1/20 0.73
CHRM5 P08912 1/20 0.73
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53

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
Quinuclidinyl Benzilate SCHEMBL241173 0.86 CHRM2 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Quinuclidinyl Benzilate SCHEMBL59698 0.86 CHRM2 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Quinuclidinyl Benzilate SCHEMBL29433215 0.84 CHRM2 (0.97) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL17978654 0.84 CHRM2 (0.82) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL17978655 0.84 CHRM2 (0.82) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL29631412 0.84 CHRM2 (0.82) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL17978653 0.84 CHRM2 (0.82) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL18016223 0.84 CHRM2 (0.82) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL17985842 0.84 CHRM2 (0.82) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL18016260 0.83 CHRM2 (0.80) CHRM3CHRM2CHRM1CHRM4CHRM5

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.