SCHEMBL345255

SCHEMBL345255

COc1ccc(Cl)cc1C(=O)N=c1sc(C)cn1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.49
DRD2 P14416 8/20 0.41
BRD4 O60885 2/20 0.39
PDPK1 O15530 1/20 0.39
CCNB2 O95067 1/20 0.39
PRKCB P05771 1/20 0.39
CDK1 P06493 1/20 0.39
LYN P07948 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CCNA1 P78396 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
LMNA P02545 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL345254 1.00 CNR2 (0.49) CNR2DRD2BRD4PDPK1CCNB2
SCHEMBL344449 0.85 CNR2 (0.57) CNR2
SCHEMBL344450 0.85 CNR2 (0.57) CNR2
SCHEMBL345046 0.83 CNR2 (0.47) CNR2LMNA
SCHEMBL345047 0.83 CNR2 (0.47) CNR2LMNA
SCHEMBL344668 0.83 CNR2 (0.53) CNR2LMNA
SCHEMBL344667 0.83 CNR2 (0.53) CNR2LMNA
SCHEMBL3384559 0.81 CNR2 (0.48) CNR2LMNA
SCHEMBL3384555 0.81 CNR2 (0.48) CNR2LMNA
SCHEMBL345241 0.81 CNR2 (0.49) CNR2LMNA

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-8338467-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2012-12-25 US disclosed
US-20120015929-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2012-01-19 US disclosed
US-8058293-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2011-11-15 US disclosed
EP-2274306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-01-19 EP disclosed
US-20090247500-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-10-01 US disclosed
WO-2009114566-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-09-17 WO 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-20120015929-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 CNR2 2/4885DRD2 128/4885BRD4 469/4885
US-20090247500-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 CNR2 2/4885DRD2 128/4885BRD4 469/4885

“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.