SCHEMBL5083535

SCHEMBL5083535

CC(C)c1ccncc1C(=O)NCC1CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.51
CNR1 P21554 2/20 0.48
KDM4C Q9H3R0 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NAMPT P43490 1/20 0.43
HTR4 Q13639 1/20 0.43
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ACVR1B P36896 1/20 0.42
TGFBR1 P36897 1/20 0.42

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
SCHEMBL5080772 0.80 CNR2 (0.51) CNR2KDM4CNAMPTACVR1BTGFBR1
SCHEMBL12261505 0.79 TGFBR1 (0.60) CNR2NAMPTACVR1BTGFBR1
SCHEMBL19523059 0.78 TGFBR1 (0.53) CNR2KDM4CALDH1A1ACVR1BTGFBR1
SCHEMBL4649654 0.76 CNR2 (0.59) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12261441 0.76 MKNK1 (0.44) KDM4CALDH1A1ACVR1BTGFBR1
SCHEMBL27021657 0.76 KCNA5 (0.52) CNR2CNR1HTR4
SCHEMBL5078982 0.74 L3MBTL1 (0.57) CNR2CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL22583343 0.73 THRB (0.64) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL28064903 0.73 MEN1 (0.42) KDM4CKDM4EACVR1BTGFBR1
SCHEMBL4649254 0.72 CNR2 (0.62) CNR2CYP1A2CYP3A4CYP2D6CYP2C9

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 1/4885CNR1 2/4885KDM4C 1643/4885

“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.