SCHEMBL4495026

SCHEMBL4495026

COc1cc(C(=O)N2CC3[C@H](CNC(=O)C(O)(c4ccccc4)C4CCCC4)[C@H]3C2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM3 P20309 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
KCNH2 Q12809 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4486313 1.00 ALDH1A1 (0.45) ALDH1A1CYP1A2CHRM3CHRM2CHRM1
SCHEMBL4483807 0.86 CHRM3 (0.53) ALDH1A1CHRM3CHRM2CHRM1
SCHEMBL4483970 0.86 CHRM3 (0.53) ALDH1A1CHRM3CHRM2CHRM1
SCHEMBL4482823 0.86 CHRM2 (0.45) CHRM3CHRM2CHRM1
SCHEMBL4480471 0.86 KEAP1 (0.47) CHRM3CHRM2CHRM1
SCHEMBL4471928 0.81 CHRM2 (0.41) ALDH1A1CHRM3CHRM2CHRM1
SCHEMBL4617494 0.79 CHRM3 (0.52) ALDH1A1CYP1A2CHRM3
SCHEMBL4486748 0.78 KEAP1 (0.43) CHRM3CHRM2CHRM1
SCHEMBL4471557 0.77 CHRM2 (0.51) CHRM3CHRM2CHRM1
SCHEMBL4470980 0.77 CHRM3 (0.49) CHRM3CHRM2CHRM1

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-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-07-09 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-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 ALDH1A1 1927/4885CYP1A2 541/4885CHRM3 1/4885

“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.