SCHEMBL944461

SCHEMBL944461

CCCCn1cc(C(C)(C)C)sc1=NC(=S)c1cc(Cl)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.58
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MCL1 Q07820 1/20 0.30

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
SCHEMBL944459 1.00 CNR2 (0.58) CNR2LMNAHTTKCNH2SMN1; SMN2
SCHEMBL943637 0.87 CNR2 (0.63) CNR2LMNA
SCHEMBL943638 0.87 CNR2 (0.63) CNR2LMNA
SCHEMBL947508 0.83 CNR2 (0.63) CNR2
SCHEMBL947509 0.83 CNR2 (0.63) CNR2
SCHEMBL3022942 0.82 CNR2 (0.84) CNR2
SCHEMBL3022938 0.82 CNR2 (0.84) CNR2
SCHEMBL944786 0.81 CNR2 (0.55) CNR2LMNAMAPT
SCHEMBL944787 0.81 CNR2 (0.55) CNR2LMNAMAPT
SCHEMBL944161 0.80 CNR2 (0.72) CNR2

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 10 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
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
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 1/4885LMNA 2741/4885HTT 1691/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CNR2 2/4885LMNA 3709/4885HTT 3271/4885
US-20100216760-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 CNR2 2/4885LMNA 1958/4885HTT 3572/4885

“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.