SCHEMBL4194973

SCHEMBL4194973

COC(C(=O)OCC1C2CCC1CNC2)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.37
CHRM3 P20309 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36
HTR2B P41595 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
MLNR O43193 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
OPRK1 P41145 1/20 0.36
CACNA1C Q13936 1/20 0.36
SSTR4 P31391 1/20 0.35
KCNN4 O15554 1/20 0.35
CYP2C19 P33261 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34

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
SCHEMBL4617611 0.87 SSTR4 (0.42) HTR2CCHRM3CHRM2CHRM1OPRM1
SCHEMBL4200185 0.85 CHRM3 (0.45) HTR2CCHRM3CHRM2CHRM1SSTR4
SCHEMBL4191418 0.83 CHRM3 (0.51) CHRM3CHRM2CHRM1KCNH2ALDH1A1
SCHEMBL3216742 0.81 CHRM3 (0.46) CHRM3CHRM2CHRM1KCNH2ALDH1A1
SCHEMBL4193806 0.80 CHRM3 (0.49) CHRM3
SCHEMBL10334594 0.80 CHRM3 (0.49) HTR2CCHRM3CHRM2CHRM1OPRM1
SCHEMBL4190777 0.76 LMNA (0.41) CHRM3CHRM2CHRM1KCNH2SSTR4
SCHEMBL10334304 0.75 MGLL (0.47) MEN1KMT2A
SCHEMBL4620821 0.74 CHRM2 (0.50) HTR2CCHRM3CHRM2CHRM1OPRM1
SCHEMBL4617491 0.72 CHRM3 (0.48) CHRM3

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 8 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
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP claimed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO 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 HTR2C 367/4885CHRM3 1/4885CHRM2 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.