SCHEMBL5083073

SCHEMBL5083073

CC(C)(C)OC(=O)N(Cc1ccc(N)cc1)C(=O)c1cncnc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
GPR119 Q8TDV5 2/20 0.33
EPHX2 P34913 1/20 0.33
ESRRG P62508 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
NAMPT P43490 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
AKT1 P31749 2/20 0.30
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM1A O60341 2/20 0.30
ADRB3 P13945 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
SCHEMBL7944783 0.83 GRM2 (0.44) GRM2HDAC1HDAC3HDAC2NCOR2
SCHEMBL16682332 0.74 HDAC3 (0.51) HDAC1HDAC3HDAC2NCOR2GPR119
SCHEMBL2227505 0.73 HTR2C (0.41) HDAC1HDAC3HDAC2NCOR2EPHX2
SCHEMBL6223825 0.72 GRM2 (0.38) GRM2HDAC1HDAC3HDAC2NCOR2
SCHEMBL7640149 0.72 LMNA (0.38) HDAC1HDAC3HDAC2NCOR2EPHX2
SCHEMBL28614083 0.72 HDAC3 (0.37) GRM2HDAC1HDAC3HDAC2NCOR2
SCHEMBL18067962 0.72 HDAC3 (0.46) HDAC1HDAC3HDAC2NCOR2EPHX2
SCHEMBL8487620 0.72 AKT1 (0.38) GRM2HDAC1HDAC3HDAC2NCOR2
SCHEMBL30400038 0.71 CYP17A1 (0.46) GRM2HDAC1HDAC3HDAC2NCOR2
SCHEMBL3156567 0.71 HDAC1 (0.48) HDAC1HDAC3HDAC2NCOR2HDAC6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 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 (1 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-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A GRM2 273/4885HDAC1 920/4885HDAC3 397/4885

“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.