SCHEMBL345147

SCHEMBL345147

Cc1cn(CCCNC(=O)OC(C)(C)C)c(=N)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 8/20 0.42
CAMK2D Q13557 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
IDO1 P14902 1/20 0.39
DYRK1A Q13627 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
SCHEMBL29357820 0.74 TDP1 (0.44) TDP1STK17BSTK17AMEN1GAA
SCHEMBL7963556 0.73 CAMK2D (0.46) TDP1MEN1GAAKMT2ACAMK2D
SCHEMBL344732 0.73 CA12 (0.37) TDP1MEN1GAAKMT2ADRD2
SCHEMBL21069375 0.72 STK17B (0.44) TDP1STK17BSTK17AMEN1GAA
SCHEMBL25381100 0.71 CAMK2D (0.48) TDP1MEN1GAAKMT2ADRD2
SCHEMBL3387585 0.71 DRD2 (0.47) TDP1MEN1GAAKMT2ADRD2
SCHEMBL22366404 0.70 TDP1 (0.46) TDP1STK17BSTK17AMEN1GAA
SCHEMBL3020258 0.70 TDP1 (0.81) TDP1STK17BSTK17AMEN1GAA
SCHEMBL569251 0.70 TDP1 (0.74) TDP1STK17BSTK17AMEN1GAA
SCHEMBL3154615 0.70 TDP1 (0.51) TDP1MEN1GAAKMT2ADRD2

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 TDP1 3952/4885STK17B 3365/4885STK17A 3911/4885
US-20090247500-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 TDP1 3952/4885STK17B 3365/4885STK17A 3911/4885

“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.