SCHEMBL4889398

SCHEMBL4889398

CN(CC(=O)C(O)(c1ccccc1)C1CCCC1)C1C2CNCC21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.47
CHRM3 P20309 7/20 0.44
CHRM2 P08172 5/20 0.42
CHRM1 P11229 5/20 0.42
CYP2C19 P33261 2/20 0.42
KCNH2 Q12809 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
ABCB11 O95342 1/20 0.42
ESR1 P03372 1/20 0.42
CHRM4 P08173 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
SCHEMBL4886779 0.81 CHRM3 (0.52) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL4878955 0.81 ALDH1A1 (0.62) KEAP1NFE2L2ALDH1A1POLBCHRM3
Hydrochloric Acid SCHEMBL5948404 0.81 KEAP1 (0.52) KEAP1NFE2L2ALDH1A1POLBCHRM3
Hydrochloric Acid SCHEMBL5948029 0.80 KEAP1 (0.51) KEAP1NFE2L2ALDH1A1POLBCHRM3
SCHEMBL4619313 0.78 KEAP1 (0.49) KEAP1NFE2L2ALDH1A1POLBCHRM3
SCHEMBL4888039 0.78 CHRM3 (0.59) KEAP1NFE2L2ALDH1A1POLBCHRM3
SCHEMBL13790873 0.77 KEAP1 (0.54) KEAP1NFE2L2ALDH1A1POLBCHRM3
SCHEMBL4889393 0.74 KEAP1 (0.50) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL4886046 0.74 CHRM3 (0.62) CHRM3CHRM2CHRM1KCNH2OPRM1
SCHEMBL9906828 0.74 KEAP1 (0.68) KEAP1NFE2L2ALDH1A1POLBCHRM3

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-20080280883-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-13 US claimed
US-20080280883-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-13 US disclosed
EP-1794161-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-13 EP disclosed
WO-2006032994-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-03-30 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-20080280883-A1 Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 KEAP1 1713/4885NFE2L2 4205/4885ALDH1A1 1823/4885

“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.