SCHEMBL944835

SCHEMBL944835

COCCn1c(C)c(C)s/c1=N\C(=S)C1C(C)(C)C1(C)C

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.73
CNR1 P21554 5/20 0.73
PIM1 P11309 1/20 0.43
CLK2 P49760 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
KMT2A Q03164 1/20 0.32

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
SCHEMBL944836 1.00 CNR2 (0.73) CNR2CNR1PIM1CLK2CLK4
SCHEMBL26376123 0.85 CNR2 (1.00) CNR2CNR1PIM1CLK2CLK4
SCHEMBL945043 0.85 CNR2 (1.00) CNR2CNR1PIM1CLK2CLK4
SCHEMBL945045 0.85 CNR2 (1.00) CNR2CNR1PIM1CLK2CLK4
SCHEMBL944280 0.81 CNR2 (0.67) CNR2CNR1PIM1CLK2CLK4
SCHEMBL944278 0.81 CNR2 (0.67) CNR2CNR1PIM1CLK2CLK4
SCHEMBL944277 0.81 CNR2 (0.67) CNR2CNR1PIM1CLK2CLK4
SCHEMBL3382608 0.72 CNR2 (0.78) CNR2CNR1PIM1CLK2CLK4
SCHEMBL3382611 0.72 CNR2 (0.78) CNR2CNR1PIM1CLK2CLK4
SCHEMBL3387744 0.72 CNR2 (0.62) CNR2CNR1PIM1CLK2CLK4

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-8865753-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-21 US disclosed
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875640-B2 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2008-10-02 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-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants CNR2, CNR1, TRPV1 CNR2 1/4885CNR1 2/4885PIM1 4677/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885PIM1 3269/4885

“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.