SCHEMBL4076590

SCHEMBL4076590

O=C(NC1C2CN(CCc3ccc4c(c3)CCO4)CC21)C(O)(c1ccccc1)C1CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.60
CHRM2 P08172 1/20 0.60
CHRM4 P08173 1/20 0.60
ADRB1 P08588 1/20 0.60
CHRM5 P08912 1/20 0.60
ADRA2A P08913 1/20 0.60
CHRM1 P11229 1/20 0.60
DRD2 P14416 1/20 0.60
KCNE1 P15382 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
CHRM3 P20309 1/20 0.60
HRH2 P25021 1/20 0.60
HTR2A P28223 1/20 0.60
SLC6A4 P31645 1/20 0.60
ADRA1A P35348 1/20 0.60
OPRM1 P35372 1/20 0.60
OPRK1 P41145 1/20 0.60
HTR2B P41595 1/20 0.60
KCNQ1 P51787 1/20 0.60

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
SCHEMBL4076591 1.00 ADRB2 (0.60) ADRB2CHRM2CHRM4ADRB1CHRM5
SCHEMBL4086419 0.87 CHRM2 (0.48) CHRM2CHRM1CHRM3
SCHEMBL4086420 0.87 CHRM2 (0.48) CHRM2CHRM1CHRM3
SCHEMBL4080455 0.86 CHRM3 (0.47) CHRM3
SCHEMBL4619380 0.85 CHRM3 (0.55) ADRB2CHRM2CHRM4ADRB1CHRM5
SCHEMBL4086448 0.84 CHRM2 (0.50) CHRM2CHRM1CHRM3
SCHEMBL4086451 0.84 CHRM2 (0.50) CHRM2CHRM1CHRM3
SCHEMBL5948391 0.83 CHRM3 (0.50) CHRM3
SCHEMBL6175336 0.83 CHRM3 (0.55) CHRM2CHRM1CHRM3
SCHEMBL4397075 0.78 CHRM3 (0.54) CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488748-B2 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-02-10 US claimed
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-11-02 US claimed
EP-1590325-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP claimed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 WO claimed
US-7488748-B2 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-02-10 US disclosed
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-11-02 US disclosed
EP-1590325-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP disclosed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 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-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 ADRB2 29/4885CHRM2 3/4885CHRM4 4/4885

“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.