SCHEMBL4193585

SCHEMBL4193585

O=C(OC1C2CCC1CN(CCc1ccc3c(c1)OCO3)C2)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.51
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
HTT P42858 1/20 0.42
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
KCNE1 P15382 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HRH2 P25021 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 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
SCHEMBL5948391 0.79 CHRM3 (0.50) CHRM3
SCHEMBL4190990 0.78 CHRM2 (0.54) CHRM3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5121123 0.78 CHRM3 (0.59) CHRM3CHRM1CHRM2
SCHEMBL4619938 0.78 CHRM3 (0.49) CHRM3
SCHEMBL4885842 0.78 CHRM3 (0.57) CHRM3ADRA1A
SCHEMBL4193800 0.77 CHRM2 (0.53) CHRM3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4619971 0.77 CHRM3 (0.51) CHRM3
SCHEMBL4080455 0.77 CHRM3 (0.47) CHRM3
SCHEMBL4184498 0.76 ALDH1A1 (0.67) CHRM3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4086420 0.76 CHRM2 (0.48) CHRM3CHRM1CHRM2

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 1/4885ALDH1A1 1361/4885CYP1A2 355/4885

“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.