SCHEMBL943645

SCHEMBL943645

N#Cc1ccc(OC2CCC2)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
SLC6A9 P48067 4/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.45
CXCR5 P32302 1/20 0.43
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
KMO O15229 2/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL5043693 0.97 PTGDR2 (0.48) CNR2SLC6A9PTGDR2CXCR5PDE4A
SCHEMBL16961586 0.89 CXCR5 (0.43) CNR2SLC6A9PTGDR2CXCR5PDE4A
SCHEMBL943472 0.85 CNR2 (0.48) CNR2SLC6A9CXCR5PDE4B
SCHEMBL23287020 0.82 MAP3K5 (0.42) SLC6A9PTGDR2CXCR5
SCHEMBL29825320 0.82 MAP3K5 (0.42) SLC6A9PTGDR2CXCR5
SCHEMBL26388239 0.81 CNR2 (0.44) CNR2SLC6A9PTGDR2
SCHEMBL26388243 0.81 GSK3B (0.45) CNR2SLC6A9PTGDR2
SCHEMBL944838 0.79 CYP11B2 (0.39) CNR2SLC6A9PTGDR2
SCHEMBL24371188 0.79 HCRTR1 (0.44) CNR2SLC6A9
SCHEMBL24371182 0.78 GPR6 (0.43) CNR2SLC6A9PTGDR2

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
EP-3026046-A1 THIAZOLES AS CANNABINOID RECEPTOR LIGANDS AbbVie Inc. (US) 2016-06-01 EP disclosed
EP-2376462-B1 THIAZOLES AS CANNABINOID RECEPTOR LIGANDS ABBVIE INC (US) 2015-12-16 EP disclosed
US-8895592-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-11-25 US disclosed
US-8865753-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-21 US disclosed
EP-2376462-A1 Thiazoles as cannabinoid receptor ligands Abbott Laboratories (US) 2011-10-19 EP 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-20100216760-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010071783-A1 THIAZOLES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-06-24 WO 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 (3 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 1/4885SLC6A9 4235/4885PTGDR2 4/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CNR2 2/4885SLC6A9 1623/4885PTGDR2 31/4885
US-20100216760-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 CNR2 2/4885SLC6A9 3420/4885PTGDR2 154/4885

“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.