SCHEMBL4194959

SCHEMBL4194959

Cc1ccc(C(O)(C(=O)OC2C3CCC2CNC3)C2CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.45
CHRM2 P08172 4/20 0.45
CHRM1 P11229 3/20 0.44
KCNH2 Q12809 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
HTR2B P41595 2/20 0.44
CYP1A2 P05177 2/20 0.44
HRH1 P35367 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
POLB P06746 1/20 0.39
CYP2C19 P33261 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL4186775 0.88 CHRM3 (0.55) CHRM3CHRM2CHRM1KCNH2ALDH1A1
SCHEMBL19236043 0.84 CHRM3 (0.54) CHRM3CHRM2CHRM1KCNH2ALDH1A1
SCHEMBL16509307 0.84 CHRM3 (0.54) CHRM3CHRM2CHRM1KCNH2ALDH1A1
SCHEMBL16509306 0.84 CHRM3 (0.54) CHRM3CHRM2CHRM1KCNH2ALDH1A1
SCHEMBL4140298 0.78 CHRM2 (0.48) CHRM3CHRM2CHRM1
SCHEMBL4195838 0.77 CHRM2 (0.53) CHRM3CHRM2CHRM1KCNH2ALDH1A1
SCHEMBL4200385 0.75 ALDH1A1 (0.55) CHRM3CHRM2CHRM1KCNH2ALDH1A1
SCHEMBL4183546 0.75 CHRM3 (0.52) CHRM3CHRM2CHRM1KCNH2ALDH1A1
SCHEMBL4985946 0.75 CHRM3 (0.52) CHRM3CHRM2CHRM1KCNH2ALDH1A1
SCHEMBL4987229 0.74 CHRM3 (0.51) CHRM3CHRM2CHRM1KCNH2ALDH1A1

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-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US claimed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP disclosed
WO-2006035303-A1 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-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 4/4885

“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.