SCHEMBL4244030

SCHEMBL4244030

O=C(OCC1C2CCC1CN(Cc1ccccc1)C2)N(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
PTGIR P43119 5/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
PTGDR Q13258 4/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
FAAH O00519 1/20 0.41
CHRM4 P08173 1/20 0.41
SLC6A5 Q9Y345 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
SCHEMBL4244250 0.93 PTGIR (0.50) PTGIRACHEPTGDRPTGER4PTGER3
SCHEMBL4244910 0.90 MEN1 (0.45) SIGMAR1PTGIRBCHEACHEPTGDR
SCHEMBL4244214 0.88 KCNH2 (0.45) KCNH2SIGMAR1DRD2DRD4BCHE
SCHEMBL4241456 0.86 PTGIR (0.55) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL4248026 0.85 PTGIR (0.57) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL4237509 0.84 PTGIR (0.50) PTGIRACHEPTGDRPTGER4PTGER3
SCHEMBL4249813 0.83 ACHE (0.47) KCNH2SIGMAR1PTGIRBCHEACHE
SCHEMBL4250508 0.82 PTGIR (0.52) PTGIRACHEPTGDRPTGER4PTGER3
SCHEMBL4244827 0.80 PTGIR (0.58) PTGIRACHEPTGDRPTGER4PTGER3
SCHEMBL4250524 0.80 ACHE (0.43) PTGIRDRD2DRD4BCHEACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US claimed
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US disclosed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 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-20090012116-A1 Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 KCNH2 792/4885SIGMAR1 317/4885PTGIR 153/4885

“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.