SCHEMBL5113973

SCHEMBL5113973

CC(=O)Oc1cccc(C2(C3CCN(CCc4ccc5c(c4)CCO5)C3)CCCC2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 9/20 0.48
CHRM1 P11229 9/20 0.48
CHRM4 P08173 4/20 0.48
CHRM3 P20309 4/20 0.48
SLC6A4 P31645 3/20 0.48
CHRM2 P08172 3/20 0.48
OPRM1 P35372 2/20 0.48
OPRK1 P41145 2/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRA2A P08913 1/20 0.48
DRD2 P14416 1/20 0.48
KCNE1 P15382 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
HRH2 P25021 1/20 0.48
HTR2A P28223 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
KCNQ1 P51787 1/20 0.48

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
SCHEMBL5113972 1.00 CHRM5 (0.48) CHRM5CHRM1CHRM4CHRM3SLC6A4
SCHEMBL5113968 0.90 CHRM5 (0.49) CHRM5CHRM1CHRM4CHRM3SLC6A4
SCHEMBL5126705 0.85 CHRM5 (0.51) CHRM5CHRM1CHRM4CHRM3SLC6A4
SCHEMBL5918464 0.79 OPRM1 (0.35) SLC6A4OPRM1OPRK1OPRD1
SCHEMBL5918459 0.79 OPRM1 (0.35) SLC6A4OPRM1OPRK1OPRD1
SCHEMBL5918302 0.78 SLC6A4 (0.49) CHRM5CHRM1CHRM4CHRM3SLC6A4
SCHEMBL5113690 0.78 CHRM2 (0.35) CHRM1CHRM3CHRM2OPRM1OPRK1
SCHEMBL5113687 0.78 CHRM2 (0.35) CHRM1CHRM3CHRM2OPRM1OPRK1
SCHEMBL5127863 0.76 CHRM5 (0.48) CHRM5CHRM1CHRM4CHRM3SLC6A4
SCHEMBL5121405 0.74 SIGMAR1 (0.42) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194862-A1 1-Substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-08-31 US claimed
US-7465751-B2 1-substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-16 US disclosed
US-20060194862-A1 1-Substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-08-31 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-20060194862-A1 1-Substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists CHRM3, CHRM1, CHRM5 CHRM5 3/4885CHRM1 2/4885CHRM4 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.