SCHEMBL946891

SCHEMBL946891

COc1ccc(Cl)cc1C(=NC#N)N=c1sc(C(C)(C)C)cn1CC=C(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.44
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
LMNA P02545 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL946888 1.00 CNR2 (0.44) CNR2CYP11B1CYP11B2LMNACLK1
SCHEMBL946889 1.00 CNR2 (0.44) CNR2CYP11B1CYP11B2LMNACLK1
SCHEMBL944195 0.90 CNR2 (0.45) CNR2LMNACLK1CLK2CLK4
SCHEMBL944197 0.90 CNR2 (0.45) CNR2LMNACLK1CLK2CLK4
SCHEMBL944194 0.90 CNR2 (0.45) CNR2LMNACLK1CLK2CLK4
SCHEMBL945518 0.88 CNR2 (0.44) CNR2LMNACLK1CLK2CLK4
SCHEMBL946462 0.88 CNR2 (0.51) CNR2LMNA
SCHEMBL946464 0.88 CNR2 (0.51) CNR2LMNA
SCHEMBL945521 0.88 CNR2 (0.44) CNR2LMNACLK1CLK2CLK4
SCHEMBL946463 0.88 CNR2 (0.51) CNR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
EP-2142522-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-13 EP disclosed
WO-2008121558-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-09 WO 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 1/4885CYP11B1 1356/4885CYP11B2 1229/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CNR2 2/4885CYP11B1 792/4885CYP11B2 842/4885

“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.