SCHEMBL4906378

SCHEMBL4906378

Nc1cc(F)c(C2CC2)cc1NC1CCN(C2CCOCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 15/20 0.47
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
IRAK2 O43187 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
IRAK1 P51617 1/20 0.38
HASPIN Q8TF76 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
IRAK3 Q9Y616 1/20 0.38
OPRL1 P41146 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KCNH2 Q12809 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
OPRM1 P35372 1/20 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
SCHEMBL4905497 0.82 IRAK4 (0.45) IRAK4TLR9TLR8TLR7OPRL1
SCHEMBL4646524 0.81 CHRM2 (0.38) IRAK4CHRM2CHRM4CHRM5CHRM1
SCHEMBL4648772 0.79 HTR4 (0.39) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL4938339 0.78 IRAK4 (0.46) IRAK4TLR9TLR8TLR7
SCHEMBL4853765 0.77 HTR4 (0.37) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL3391769 0.75 IRAK4 (0.42) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL4648160 0.74 IRAK4 (0.35) IRAK4TLR7OPRL1EHMT2OPRM1
SCHEMBL4903203 0.74 IRAK4 (0.36) IRAK4TLR7EHMT2
SCHEMBL4635779 0.74 IRAK4 (0.46) IRAK4EHMT2
SCHEMBL4635617 0.74 IRAK4 (0.47) IRAK4IRAK2CLK1CLK2IRAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 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-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine CHRM1, CHRM2, CHRM5 IRAK4 2941/4885TLR9 1014/4885TLR8 1519/4885

“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.