SCHEMBL4889641

SCHEMBL4889641

CN(C)CCNCC(=O)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
POLB P06746 1/20 0.58
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
CHRM3 P20309 11/20 0.46
CHRM2 P08172 6/20 0.46
CHRM1 P11229 6/20 0.46
CHRM4 P08173 3/20 0.46
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
KCNH2 Q12809 1/20 0.43
ABCB11 O95342 1/20 0.43
ESR1 P03372 1/20 0.43
CHRM5 P08912 1/20 0.43

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
SCHEMBL4878955 0.80 ALDH1A1 (0.62) ALDH1A1POLBKEAP1NFE2L2CHRM3
SCHEMBL18196842 0.77 ALDH1A1 (0.65) ALDH1A1POLBKEAP1NFE2L2CHRM3
SCHEMBL18196840 0.76 POLB (0.65) ALDH1A1POLBKEAP1NFE2L2CHRM3
SCHEMBL9906828 0.76 KEAP1 (0.68) ALDH1A1POLBKEAP1NFE2L2CHRM3
SCHEMBL20253541 0.75 ALDH1A1 (0.62) ALDH1A1POLBKEAP1NFE2L2CHRM3
SCHEMBL4889393 0.74 KEAP1 (0.50) ALDH1A1KEAP1NFE2L2CHRM3CHRM2
SCHEMBL4886929 0.73 ALDH1A1 (0.46) ALDH1A1POLBKEAP1NFE2L2CHRM3
SCHEMBL9618849 0.73 ALDH1A1 (0.54) ALDH1A1POLBKEAP1NFE2L2CHRM3
SCHEMBL25238070 0.73 KEAP1 (0.68) ALDH1A1POLBKEAP1NFE2L2CHRM3
SCHEMBL4881842 0.73 KEAP1 (0.68) ALDH1A1POLBKEAP1NFE2L2CHRM3

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 ALDH1A1 1823/4885POLB 3613/4885KEAP1 1713/4885

“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.