SCHEMBL3913639

SCHEMBL3913639

CO[C@](C(=O)O)(c1ccccc1)C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
KCNN4 O15554 1/20 0.46
CHRM3 P20309 10/20 0.45
ALDH1A1 P00352 2/20 0.45
CHRM2 P08172 5/20 0.44
CHRM1 P11229 4/20 0.44
KCNH2 Q12809 2/20 0.44
SLC6A3 Q01959 1/20 0.44
CHRM4 P08173 3/20 0.43
CHRM5 P08912 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CES1 P23141 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL2062827 1.00 KEAP1 (0.57) KEAP1NFE2L2KCNN4CHRM3ALDH1A1
SCHEMBL2763726 0.98 KEAP1 (0.56) KEAP1NFE2L2KCNN4CHRM3ALDH1A1
SCHEMBL5262791 0.87 KEAP1 (0.50) KEAP1NFE2L2KCNN4CHRM3ALDH1A1
SCHEMBL5668052 0.82 CHRM2 (0.50) KEAP1NFE2L2KCNN4CHRM3ALDH1A1
SCHEMBL3912116 0.82 CHRM2 (0.50) KEAP1NFE2L2KCNN4CHRM3ALDH1A1
SCHEMBL24133064 0.80 KEAP1 (0.54) KEAP1NFE2L2CHRM3ALDH1A1CHRM2
SCHEMBL1471859 0.80 KCNN4 (0.51) KEAP1NFE2L2KCNN4CHRM3ALDH1A1
SCHEMBL10334645 0.79 CHRM2 (0.47) KEAP1NFE2L2KCNN4CHRM3ALDH1A1
SCHEMBL10335659 0.78 CA1 (0.43) ALDH1A1CES1
SCHEMBL10335594 0.78 MEN1 (0.41) SLC6A3CYP1A2POLBCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544708-B2 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-06-09 US disclosed
US-20060111425-A1 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-05-25 US 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-20060111425-A1 Azabicyclo derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 KEAP1 2017/4885NFE2L2 4262/4885KCNN4 1440/4885

“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.