SCHEMBL3971643

SCHEMBL3971643

IC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.56
CHRM4 P08173 1/20 0.56
CHRM5 P08912 1/20 0.56
KCNH2 Q12809 4/20 0.53
OPRK1 P41145 3/20 0.53
OPRM1 P35372 2/20 0.53
OPRD1 P41143 1/20 0.53
CHRNB2 P17787 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
ALDH1A1 P00352 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
SLC6A2 P23975 1/20 0.49
DRD3 P35462 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRM3 P20309 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL12794646 1.00 CHRM2 (0.56) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL3971648 1.00 CHRM2 (0.56) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL13767944 0.95 CHRM2 (0.51) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL6945483 0.86 OPRM1 (0.64) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL3971681 0.84 ALDH1A1 (0.56) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL12794645 0.84 ALDH1A1 (0.56) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL5352082 0.84 KCNH2 (0.56) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL5352080 0.84 KCNH2 (0.56) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL20483452 0.82 CHRM2 (0.64) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL13767943 0.81 KCNH2 (0.53) CHRM2CHRM4CHRM5KCNH2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682142-B1 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-07-11 EP disclosed
US-7906531-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-03-15 US disclosed
US-20090275604-A1 M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2009-11-05 US disclosed
US-7563803-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2009-07-21 US disclosed
US-7439255-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2008-10-21 US disclosed
US-20070270456-A1 M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-11-22 US disclosed
US-20070129396-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED 2007-06-07 US 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 (3 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-20070129396-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 CHRM2 3/4885CHRM4 8/4885CHRM5 4/4885
US-20090275604-A1 M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRM5 CHRM2 2/4885CHRM4 6/4885CHRM5 3/4885
US-20070270456-A1 M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRM5 CHRM2 2/4885CHRM4 6/4885CHRM5 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.