SCHEMBL947061

SCHEMBL947061

CCOC(CC)=Nc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.47
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CDC25B P30305 2/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
CYP2D6 P10635 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL947060 1.00 SIGMAR1 (0.47) SIGMAR1ALDH1A1HPGDCDC25BF2
SCHEMBL18489451 0.78 SIGMAR1 (0.53) SIGMAR1ALDH1A1HPGDF2PLG
SCHEMBL5150173 0.77 SIGMAR1 (0.46) SIGMAR1ALDH1A1TSHRGRIN2DGRIN3B
SCHEMBL5150181 0.77 SIGMAR1 (0.46) SIGMAR1ALDH1A1TSHRGRIN2DGRIN3B
SCHEMBL283471 0.74 ALDH1A1 (0.51) ALDH1A1HPGDCDC25BTP53TSHR
SCHEMBL5150261 0.72 ALDH1A1 (0.51) ALDH1A1CYP2D6TSHRMEN1MAPT
SCHEMBL11547716 0.72 ALDH1A1 (0.51) ALDH1A1CYP2D6TSHRMEN1MAPT
SCHEMBL5150269 0.72 ALDH1A1 (0.51) ALDH1A1CYP2D6TSHRMEN1MAPT
SCHEMBL28242701 0.71 ALDH1A1 (0.48) ALDH1A1HPGDCDC25BTP53LMNA
SCHEMBL18543888 0.70 SIGMAR1 (0.51) SIGMAR1ALDH1A1HPGDF2PLG

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 6 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
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 SIGMAR1 311/4885ALDH1A1 1513/4885HPGD 918/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 SIGMAR1 116/4885ALDH1A1 1147/4885HPGD 2102/4885

“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.