SCHEMBL4189381

SCHEMBL4189381

O=C(O)C(O)(c1ccccc1C1C2CCC1CNC2)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
CHRM3 P20309 7/20 0.36
CHRM2 P08172 6/20 0.36
CHRM1 P11229 5/20 0.36
KCNH2 Q12809 2/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL6399208 0.81 CHRM2 (0.47) CHRM3CHRM2CHRM1
SCHEMBL6593469 0.72 KEAP1 (0.63) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2596487 0.71 KEAP1 (0.50) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL5701311 0.71 KEAP1 (0.61) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL6399095 0.70 CHRM2 (0.47) CHRM3CHRM2CHRM1
Iodide SCHEMBL523867 0.70 CHRM3 (0.50) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL17871674 0.70 ALDH1A1 (0.52) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4186775 0.69 CHRM3 (0.55) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4187396 0.69 KEAP1 (0.39) KEAP1NFE2L2KCNH2CYP2D6SLC6A3
SCHEMBL2062949 0.69 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US claimed

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-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 KEAP1 1899/4885NFE2L2 3843/4885CHRM3 1/4885

“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.