SCHEMBL4879774

SCHEMBL4879774

CC1=NCCN1CC(=O)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
CHRM2 P08172 7/20 0.49
CHRM1 P11229 7/20 0.49
HRH1 P35367 1/20 0.49
KCNH2 Q12809 1/20 0.49
SLC29A1 Q99808 1/20 0.49
CHRM3 P20309 13/20 0.49
CYP3A4 P08684 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.44

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
SCHEMBL3042269 0.99 CHRM2 (0.51) KEAP1NFE2L2CHRM2CHRM1HRH1
SCHEMBL3044199 0.87 CHRM3 (0.47) CHRM2CHRM1HRH1KCNH2SLC29A1
SCHEMBL4889750 0.77 KEAP1 (0.60) KEAP1NFE2L2CHRM2CHRM1HRH1
SCHEMBL4887507 0.76 HTT (0.60) KEAP1NFE2L2CHRM2CHRM1HRH1
SCHEMBL4885092 0.76 HTT (0.60) KEAP1NFE2L2CHRM2CHRM1HRH1
SCHEMBL9193108 0.75 CHRM3 (0.65) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL4886224 0.74 KEAP1 (0.50) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL9906828 0.74 KEAP1 (0.68) KEAP1NFE2L2CHRM2CHRM1KCNH2
Hydrochloric Acid SCHEMBL9197639 0.74 CHRM3 (0.64) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL3049247 0.74 KEAP1 (0.49) KEAP1NFE2L2CHRM2CHRM1HRH1

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 4205/4885CHRM2 3/4885

“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.