SCHEMBL4888039

SCHEMBL4888039

CN1CCC(N(C)CC(=O)C(O)(c2ccccc2)C2CCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.59
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 1/20 0.50
POLB P06746 1/20 0.48
CHRM2 P08172 4/20 0.48
CHRM1 P11229 4/20 0.48
KDM4E B2RXH2 1/20 0.48
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
SLC29A1 Q99808 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL4886046 0.86 CHRM3 (0.62) CHRM3CHRM2CHRM1KCNH2
SCHEMBL4883043 0.85 CHRM3 (0.53) CHRM3ALDH1A1POLBCHRM2CHRM1
SCHEMBL4891859 0.82 CHRM3 (0.57) CHRM3CHRM2CHRM1KCNH2
SCHEMBL4878955 0.82 ALDH1A1 (0.62) CHRM3ALDH1A1CYP1A2KEAP1NFE2L2
SCHEMBL14003886 0.79 CHRM3 (0.59) CHRM3ALDH1A1CYP1A2KEAP1NFE2L2
SCHEMBL9193108 0.78 CHRM3 (0.65) CHRM3ALDH1A1CYP1A2KEAP1NFE2L2
SCHEMBL4889925 0.78 KDM4E (0.53) CHRM3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4889398 0.78 KEAP1 (0.50) CHRM3ALDH1A1CYP1A2KEAP1NFE2L2
Hydrochloric Acid SCHEMBL9197639 0.77 CHRM3 (0.64) CHRM3ALDH1A1CYP1A2KEAP1NFE2L2
SCHEMBL9195215 0.77 CHRM3 (0.63) CHRM3ALDH1A1CYP1A2KEAP1NFE2L2

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 6 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
EP-1794161-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-13 EP claimed
WO-2006032994-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-03-30 WO 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 CHRM3 1/4885ALDH1A1 1823/4885CYP1A2 512/4885

“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.