SCHEMBL945375

SCHEMBL945375

CCOc1ccc(C(F)(F)F)cc1C(=O)N=c1sc(C(C)(C)C)cn1C[C@H]1CCCO1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.88

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
SCHEMBL945372 1.00 CNR2 (0.88) CNR2
SCHEMBL945370 1.00 CNR2 (0.88) CNR2
SCHEMBL945373 1.00 CNR2 (0.88) CNR2
SCHEMBL3223130 0.94 CNR2 (1.00) CNR2
SCHEMBL3218502 0.94 CNR2 (1.00) CNR2
SCHEMBL3223135 0.94 CNR2 (1.00) CNR2
SCHEMBL3218497 0.94 CNR2 (1.00) CNR2
SCHEMBL14562771 0.92 CNR2 (0.86) CNR2
SCHEMBL14562766 0.92 CNR2 (0.86) CNR2
SCHEMBL14562767 0.92 CNR2 (0.86) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US claimed
EP-2222165-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-01 EP claimed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US claimed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 WO claimed
US-8865753-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-21 US disclosed
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US 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 1/4885
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CNR2 2/4885

“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.