SCHEMBL3913293

SCHEMBL3913293

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
CHRM2 P08172 5/20 0.67
CHRM1 P11229 4/20 0.67
KCNH2 Q12809 4/20 0.67
SLC6A3 Q01959 2/20 0.67
POLB P06746 1/20 0.67
CHRM3 P20309 3/20 0.65
CYP2C19 P33261 2/20 0.65
CYP3A4 P08684 2/20 0.65
CHRM4 P08173 2/20 0.65
CHRM5 P08912 2/20 0.65
HTR2B P41595 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
PKM P14618 1/20 0.65
NFKB1 P19838 1/20 0.65
THPO P40225 1/20 0.65
ABCB11 O95342 1/20 0.65
ESR1 P03372 1/20 0.65

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
SCHEMBL5667254 1.00 ALDH1A1 (0.70) ALDH1A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL13574067 0.99 CHRM2 (0.70) ALDH1A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL290176 0.99 CHRM2 (0.70) ALDH1A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL13574070 0.99 CHRM2 (0.70) ALDH1A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL4200385 0.88 ALDH1A1 (0.55) ALDH1A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL13266147 0.87 POLB (0.76) ALDH1A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL6429575 0.86 ALDH1A1 (0.53) ALDH1A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL23462444 0.85 ALDH1A1 (0.66) ALDH1A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL522945 0.84 KEAP1 (0.70) ALDH1A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL1234889 0.84 KEAP1 (0.70) ALDH1A1CHRM2CHRM1KCNH2SLC6A3

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 ALDH1A1 1394/4885CHRM2 3/4885CHRM1 5/4885

“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.