SCHEMBL961254

SCHEMBL961254

Cc1sc(=NC(=O)C23CC4CC(CC(C4)C2)C3)n(CCOCC(F)(F)F)c1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.45
CNR1 P21554 6/20 0.45
KCNQ3 O43525 6/20 0.34
KCNQ2 O43526 6/20 0.34
EPHX2 P34913 2/20 0.34
PIM1 P11309 1/20 0.34
CLK2 P49760 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
HSD11B1 P28845 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
SCHEMBL963752 0.90 CNR2 (0.43) CNR2CNR1EPHX2PIM1CLK2
SCHEMBL963753 0.90 CNR2 (0.43) CNR2CNR1EPHX2PIM1CLK2
SCHEMBL965857 0.87 CNR2 (0.48) CNR2CNR1KCNQ3KCNQ2EPHX2
SCHEMBL965855 0.87 CNR2 (0.48) CNR2CNR1KCNQ3KCNQ2EPHX2
SCHEMBL961906 0.85 CNR2 (0.54) CNR2CNR1EPHX2PIM1CLK2
SCHEMBL961905 0.85 CNR2 (0.54) CNR2CNR1EPHX2PIM1CLK2
SCHEMBL961884 0.85 CNR2 (0.61) CNR2CNR1PIM1CLK2CLK4
SCHEMBL961886 0.85 CNR2 (0.61) CNR2CNR1PIM1CLK2CLK4
SCHEMBL961901 0.81 CNR2 (0.49) CNR2CNR1KCNQ3KCNQ2PIM1
SCHEMBL961900 0.81 CNR2 (0.49) CNR2CNR1KCNQ3KCNQ2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 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 (2 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-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885KCNQ3 1246/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885KCNQ3 1246/4885

“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.