SCHEMBL4471928

SCHEMBL4471928

O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC2[C@H](CNC(=O)C(O)(c3ccccc3)C3CCCC3)[C@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4480471 0.87 KEAP1 (0.47) CHRM2CHRM1CHRM3
SCHEMBL4482823 0.85 CHRM2 (0.45) CHRM2CHRM1CHRM3
SCHEMBL4495026 0.81 ALDH1A1 (0.45) CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL4486313 0.81 ALDH1A1 (0.45) CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL4470397 0.80 CHRM2 (0.41) CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL4490304 0.80 CHRM2 (0.41) CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL4483807 0.80 CHRM3 (0.53) CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL4483970 0.80 CHRM3 (0.53) CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL4479620 0.79 MEN1 (0.46) ALDH1A1
SCHEMBL4486748 0.79 KEAP1 (0.43) CHRM2CHRM1CHRM3

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-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-07-09 US claimed
EP-1796667-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP claimed
WO-2006035282-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO claimed
US-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-07-09 US disclosed
EP-1796667-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP disclosed
WO-2006035282-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 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-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM2 3/4885CHRM1 5/4885CHRM3 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.