SCHEMBL4245972

SCHEMBL4245972

O=C(OCC1C2CCC1CN(Cc1ccccc1)C2)N(c1ccccc1)c1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.40
PTGIR P43119 11/20 0.40
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
PTGDR Q13258 4/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
MAOB P27338 1/20 0.35

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
SCHEMBL4244052 0.83 CHRM2 (0.39) GRIN2BBCHEACHEMAOB
SCHEMBL4244030 0.79 KCNH2 (0.45) PTGIRBCHEACHEPTGDRPTGER1
SCHEMBL4244910 0.79 MEN1 (0.45) PTGIRBCHEACHEPTGDRPTGER1
SCHEMBL4241456 0.79 PTGIR (0.55) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL4248026 0.78 PTGIR (0.57) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL4248347 0.77 CHRM2 (0.52) GRIN2BBCHEACHE
SCHEMBL4250508 0.75 PTGIR (0.52) PTGIRACHEPTGDRPTGER4PTGER3
SCHEMBL4250524 0.75 ACHE (0.43) PTGIRBCHEACHEPTGDRMAOB
SCHEMBL4248182 0.73 ACHE (0.48) BCHEACHEMAOB
SCHEMBL4244827 0.73 PTGIR (0.58) PTGIRACHEPTGDRPTGER4PTGER3

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-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US claimed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP claimed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO 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 GRIN2B 421/4885PTGIR 153/4885BCHE 258/4885

“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.