SCHEMBL4483807

SCHEMBL4483807

COc1ccc(C(=O)N2CC3[C@H](CNC(=O)C(O)(c4ccccc4)C4CCCC4)[C@H]3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.53
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL4483970 1.00 CHRM3 (0.53) CHRM3CHRM2CHRM1ALDH1A1LMNA
SCHEMBL4480471 0.90 KEAP1 (0.47) CHRM3CHRM2CHRM1
SCHEMBL4486313 0.86 ALDH1A1 (0.45) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL4495026 0.86 ALDH1A1 (0.45) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL4482823 0.85 CHRM2 (0.45) CHRM3CHRM2CHRM1
SCHEMBL4143641 0.83 CHRM3 (0.54) CHRM3CHRM2CHRM1
SCHEMBL5099652 0.83 CHRM3 (0.54) CHRM3CHRM2CHRM1
SCHEMBL4617494 0.81 CHRM3 (0.52) CHRM3ALDH1A1
SCHEMBL4486748 0.80 KEAP1 (0.43) CHRM3CHRM2CHRM1
SCHEMBL4471928 0.80 CHRM2 (0.41) CHRM3CHRM2CHRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-07-09 US claimed
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 CHRM3 1/4885CHRM2 3/4885CHRM1 5/4885

“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.