SCHEMBL986246

SCHEMBL986246

Cc1nsc(NC(=O)C23CC4CC(CC2C4)C3)c1Br

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.42
CNR1 P21554 4/20 0.42
ADORA1 P30542 1/20 0.39
P2RX7 Q99572 2/20 0.38
EPHX2 P34913 3/20 0.38
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3743041 0.71 CNR2 (0.46) CNR2CNR1ADORA1P2RX7EPHX2
SCHEMBL3804786 0.71 CNR2 (0.58) CNR2CNR1ADORA1P2RX7ALDH1A1
SCHEMBL4086454 0.71 CNR2 (0.58) CNR2CNR1ADORA1P2RX7ALDH1A1
SCHEMBL4092598 0.68 CNR2 (0.47) CNR2CNR1ADORA1
SCHEMBL1053446 0.68 ADORA1 (0.49) CNR2CNR1ADORA1P2RX7EPHX2
SCHEMBL3802009 0.68 CNR2 (0.55) CNR2CNR1ADORA1P2RX7
SCHEMBL3646676 0.68 CNR2 (0.55) CNR2CNR1ADORA1P2RX7
SCHEMBL4095673 0.67 CNR2 (0.76) CNR2CNR1ALDH1A1LMNA
SCHEMBL4091428 0.66 CNR2 (0.50) CNR2CNR1ADORA1ALDH1A1
SCHEMBL4095389 0.66 CNR2 (0.41) CNR2CNR1ADORA1P2RX7

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-8835475-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-09-16 US disclosed
US-8501794-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-08-06 US disclosed
US-20110082116-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-07 US disclosed
US-7872033-B2 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100234345-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-16 US disclosed
US-20090023789-A1 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2009-01-22 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-20090023789-A1 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants CNR2, CNR1, TBXA2R CNR2 1/4885CNR1 2/4885ADORA1 389/4885
US-20110082116-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885ADORA1 424/4885
US-20100234345-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885ADORA1 421/4885

“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.