SCHEMBL3616009

SCHEMBL3616009

CN(C(=O)O)C1C2CN(C(=O)C(O)(c3ccccc3)C3CCCC3)CC21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.59
CHRM2 P08172 3/20 0.56
CHRM1 P11229 3/20 0.56
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL3620974 0.90 CHRM3 (0.62) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL3607902 0.89 CHRM3 (0.60) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL13545705 0.87 CHRM3 (0.53) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL15015184 0.83 CHRM3 (0.64) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL3618917 0.82 ALDH1A1 (0.40) CHRM3CHRM2CHRM1CYP2D6ALDH1A1
SCHEMBL3620432 0.82 CHRM3 (0.52) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL3622658 0.81 CHRM3 (0.70) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL3612214 0.81 CHRM3 (0.62) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL3618425 0.81 CHRM3 (0.62) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL3617862 0.80 CHRM3 (0.60) CHRM3CHRM2CHRM1KEAP1NFE2L2

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-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US disclosed
EP-1828174-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-09-05 EP disclosed
WO-2006054162-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-26 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-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 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.