SCHEMBL4887400

SCHEMBL4887400

CC(C)c1nccn1CC(=O)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
CHRM3 P20309 12/20 0.44
CHRM2 P08172 7/20 0.44
CHRM1 P11229 7/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL3042545 0.99 KEAP1 (0.46) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3044724 0.88 CHRM3 (0.44) CHRM3CHRM2CHRM1SMN1; SMN2
SCHEMBL4886224 0.85 KEAP1 (0.50) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3049247 0.84 KEAP1 (0.49) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3049212 0.83 CHRM2 (0.47) CHRM3CHRM2CHRM1
SCHEMBL3034639 0.83 ALDH1A1 (0.55) CHRM3CHRM2CHRM1SMN1; SMN2ALDH1A1
SCHEMBL3050663 0.82 CHRM2 (0.46) CHRM3CHRM2CHRM1
SCHEMBL3044573 0.82 POLB (0.55) CHRM3CHRM2CHRM1SMN1; SMN2ALDH1A1
SCHEMBL3044988 0.82 POLB (0.55) CHRM3CHRM2CHRM1SMN1; SMN2ALDH1A1
SCHEMBL4890692 0.77 SMN1; SMN2 (0.41) CHRM3SMN1; SMN2

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 KEAP1 1713/4885NFE2L2 4205/4885CHRM3 1/4885

“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.