SCHEMBL367699

SCHEMBL367699

CC(C)(C)OC(=O)NCCn1cc(C(C)(C)C)sc1=N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 7/20 0.38
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA9 Q16790 7/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL344732 0.94 CA12 (0.37) DRD2TDP1CA12CA1CA2
SCHEMBL345147 0.78 TDP1 (0.44) DRD2TDP1CA12CA1CA2
SCHEMBL21432992 0.71 DRD2 (0.45) DRD2TDP1ALDH1A1GFERMEN1
SCHEMBL2878564 0.71 DRD2 (0.42) DRD2TDP1ALDH1A1GFERHTT
SCHEMBL585025 0.71 ALDH1A1 (0.41) DRD2TDP1ALDH1A1GFERMEN1
SCHEMBL22588365 0.70 KMT2A (0.44) DRD2TDP1CA12CA1CA2
SCHEMBL344472 0.70 NR1H2 (0.41)
SCHEMBL21389397 0.69 ALDH1A1 (0.47) DRD2TDP1ALDH1A1GFER
SCHEMBL28553551 0.69 DRD2 (0.48) DRD2TDP1ALDH1A1GFERMEN1
SCHEMBL4897978 0.68 DRD2 (0.45) DRD2TDP1ALDH1A1GFER

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 12 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-8338467-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2012-12-25 US disclosed
US-20120015929-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2012-01-19 US disclosed
US-8058293-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2011-11-15 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-2274306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-01-19 EP disclosed
EP-2142522-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-13 EP disclosed
US-20090247500-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-10-01 US disclosed
WO-2009114566-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-09-17 WO 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 (4 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 DRD2 78/4885TDP1 2953/4885CA12 2037/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 DRD2 73/4885TDP1 3571/4885CA12 3813/4885
US-20120015929-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 DRD2 128/4885TDP1 3952/4885CA12 4546/4885
US-20090247500-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 DRD2 128/4885TDP1 3952/4885CA12 4546/4885

“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.