SCHEMBL12439335

SCHEMBL12439335

COCC1CCC(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 9/20 0.59
CHRM5 P08912 9/20 0.59
CHRM1 P11229 9/20 0.59
CHRM3 P20309 8/20 0.59
CHRM2 P08172 7/20 0.59
CBX7 O95931 2/20 0.40
CDYL2 Q8N8U2 2/20 0.40
CDY1; CDY1B Q9Y6F8 2/20 0.40
KMO O15229 1/20 0.40
CDYL Q9Y232 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.37
HSD11B1 P28845 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CDK7 P50613 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
SCHEMBL2218018 1.00 CHRM4 (0.59) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL2220699 1.00 CHRM4 (0.59) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL2218014 1.00 CHRM4 (0.59) CHRM4CHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL2217254 0.99 CHRM4 (0.58) CHRM4CHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL2217251 0.99 CHRM4 (0.58) CHRM4CHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL2220554 0.99 CHRM4 (0.58) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL12514349 0.86 CHRM4 (0.53) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL2229097 0.83 CHRM4 (0.51) CHRM4CHRM5CHRM1CBX7CDYL2
SCHEMBL8058738 0.77 CHRM2 (0.56) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL8067487 0.76 CHRM2 (0.55) CHRM4CHRM5CHRM1CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344483-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-01 EP claimed
US-20110178131-A1 Compounds Which Have Activity At M1 Receptor And Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2011-07-21 US disclosed
US-20110178131-A1 Compounds Which Have Activity At M1 Receptor And Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2011-07-21 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 (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-20110178131-A1 Compounds Which Have Activity At M1 Receptor And Their Uses In Medicine CHRM1, CHRM2, CHRM5 CHRM4 4/4885CHRM5 3/4885CHRM1 1/4885

“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.