SCHEMBL4620549

SCHEMBL4620549

CN(CC1C2CN(CCc3ccc4c(c3)OCO4)CC21)C(=O)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.42
ADRA1D P25100 3/20 0.42
ADRA1B P35368 3/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
CHRM3 P20309 2/20 0.40
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
ADRB2 P07550 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRB1 P08588 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
KCNE1 P15382 1/20 0.39

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
SCHEMBL4619971 0.88 CHRM3 (0.51) TRPM8CHRM3
SCHEMBL4617715 0.87 CHRM5 (0.55) ADRA1ACHRM3OPRM1OPRK1ADRB2
SCHEMBL4127931 0.82 ADRA1A (0.42) ADRA1AADRA1DADRA1BTRPM8ALDH1A1
SCHEMBL4789858 0.77 ADRA1A (0.47) ADRA1AADRA1DADRA1BTRPM8ALDH1A1
SCHEMBL4619318 0.77 CHRM3 (0.44) CHRM3
SCHEMBL4790485 0.75 ADRA1A (0.43) ADRA1AADRA1DADRA1BTRPM8ALDH1A1
SCHEMBL4619558 0.75 CHRM2 (0.43) ALDH1A1CHRM3CHRM2CHRM1
SCHEMBL4789381 0.74 ALDH1A1 (0.44) ADRA1AADRA1DADRA1BTRPM8ALDH1A1
SCHEMBL4080455 0.73 CHRM3 (0.47) CHRM3
SCHEMBL4619938 0.73 CHRM3 (0.49) CHRM3

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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US claimed
US-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US disclosed
EP-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP disclosed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 ADRA1A 74/4885ADRA1D 51/4885ADRA1B 48/4885

“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.