SCHEMBL5117815

SCHEMBL5117815

O=C(O)C(O)(c1ccccc1)C1([C@@H]2CCN(CCc3ccc4c(c3)OCO4)C2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.45
ADRA1A P35348 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
ADRB2 P07550 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD2 P14416 1/20 0.45
KCNE1 P15382 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
HRH2 P25021 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
KCNQ1 P51787 1/20 0.45

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
SCHEMBL5117812 1.00 CHRM3 (0.45) CHRM3ADRA1ACHRM5CHRM1ADRB2
SCHEMBL5117197 0.87 CHRM5 (0.62) CHRM3ADRA1ACHRM5CHRM1ADRB2
SCHEMBL8983764 0.75 CHRM3 (0.50) CHRM3ADRA1ACHRM5CHRM1ADRB2
SCHEMBL5121398 0.75 KMT2A (0.43) CHRM3ADRA1ACHRM5CHRM1OPRM1
SCHEMBL9519064 0.75 CHRM5 (0.76) CHRM3ADRA1ACHRM5CHRM1ADRB2
SCHEMBL9519069 0.75 CHRM5 (0.76) CHRM3ADRA1ACHRM5CHRM1ADRB2
SCHEMBL5121123 0.74 CHRM3 (0.59) CHRM3CHRM1CHRM2
SCHEMBL5121405 0.73 SIGMAR1 (0.42) MEN1KMT2AKDM4EMAPK1SIGMAR1
Water SCHEMBL8983768 0.72 MEN1 (0.44) CHRM3ADRA1ACHRM5CHRM1ADRB2
SCHEMBL5116353 0.71 MEN1 (0.38) ADRA1AOPRM1OPRK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1583741-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories, Limited (IN) 2005-10-12 EP disclosed
WO-2004056767-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-07-08 WO 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 CHRM3 1/4885ADRA1A 28/4885CHRM5 3/4885

“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.