SCHEMBL5080772

SCHEMBL5080772

CC(C)CNC(=O)c1cnccc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.51
ACVR1B P36896 3/20 0.50
TGFBR1 P36897 3/20 0.50
KDM6B O15054 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
PIM1 P11309 1/20 0.45
BAD Q92934 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
NAMPT P43490 2/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DYRK1A Q13627 1/20 0.43
ACVRL1 P37023 1/20 0.43

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
SCHEMBL12261505 0.90 TGFBR1 (0.60) CNR2ACVR1BTGFBR1KMT2AMEN1
SCHEMBL19523059 0.82 TGFBR1 (0.53) CNR2ACVR1BTGFBR1KDM6BKDM4C
SCHEMBL12261441 0.81 MKNK1 (0.44) ACVR1BTGFBR1KDM6BKDM4CGAA
SCHEMBL5083535 0.80 CNR2 (0.51) CNR2ACVR1BTGFBR1KDM4CNAMPT
SCHEMBL24598453 0.79 TP53 (0.57) ACVR1BTGFBR1KDM6BKDM4CKMT2A
SCHEMBL5078982 0.78 L3MBTL1 (0.57) CNR2KMT2AGAASMN1; SMN2POLB
SCHEMBL28064903 0.77 MEN1 (0.42) ACVR1BTGFBR1KDM4CKMT2AMEN1
SCHEMBL24598472 0.77 TP53 (0.60) KDM6BKDM4CKMT2AMEN1POLB
SCHEMBL4582070 0.75 KDM4C (0.50) ACVR1BTGFBR1KDM6BKDM4CKMT2A
SCHEMBL3818665 0.75 SIRT3 (0.43) ACVR1BTGFBR1KDM6BKDM4CSMN1; SMN2

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 CNR2 1/4885ACVR1B 1087/4885TGFBR1 1308/4885

“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.