SCHEMBL4648772

SCHEMBL4648772

Nc1cc(Cl)c(Cl)cc1NC1CCN(C2CCOCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.39
EHMT2 Q96KQ7 2/20 0.37
IRAK4 Q9NWZ3 7/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
IRAK2 O43187 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
IRAK1 P51617 1/20 0.34
HASPIN Q8TF76 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IRAK3 Q9Y616 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
F10 P00742 1/20 0.34
MAP3K12 Q12852 1/20 0.33
CCR3 P51677 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4853765 0.90 HTR4 (0.37) HTR4EHMT2IRAK4NOS3NOS1
SCHEMBL4648160 0.87 IRAK4 (0.35) HTR4EHMT2IRAK4NOS3NOS1
SCHEMBL11923096 0.81 EHMT2 (0.37) HTR4EHMT2IRAK4NOS3NOS1
SCHEMBL8234863 0.81 EHMT2 (0.37) HTR4EHMT2IRAK4NOS3NOS1
SCHEMBL4646727 0.80 BCL6 (0.48) CYP2C19GAAMAPTMAPK1
SCHEMBL4635779 0.79 IRAK4 (0.46) EHMT2IRAK4NOS3NOS1NOS2
SCHEMBL4906378 0.79 IRAK4 (0.47) EHMT2IRAK4IRAK2CLK1CLK2
SCHEMBL4938339 0.78 IRAK4 (0.46) IRAK4NOS3NOS1NOS2HRH3
SCHEMBL4903203 0.77 IRAK4 (0.36) EHMT2IRAK4NOS3NOS1NOS2
SCHEMBL4646524 0.77 CHRM2 (0.38) EHMT2IRAK4HRH3

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 11 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
EP-1960389-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-08-27 EP 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
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 HTR4 138/4885EHMT2 4375/4885IRAK4 2941/4885

“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.