SCHEMBL5080771

SCHEMBL5080771

CC(C)Cc1nccc(C(C)C)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX1 P07099 1/20 0.35
NR3C2 P08235 4/20 0.34
HRH4 Q9H3N8 1/20 0.34
DPP4 P27487 3/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2C Q14957 1/20 0.33
NTRK1 P04629 4/20 0.33
PIM1 P11309 4/20 0.33
DPP8 Q6V1X1 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DPP9 Q86TI2 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL5083527 0.80 LNPEP (0.38)
SCHEMBL5078981 0.77 NPSR1 (0.38) HPGDNR3C2DPP4ALOX5
SCHEMBL1591434 0.77 NTRK1 (0.33) GRIN3BGRIN1GRIN2CNTRK1PIM1
SCHEMBL4601709 0.77 NTRK1 (0.38) NR3C2GRIN3BGRIN1GRIN2CNTRK1
SCHEMBL9208485 0.77 RPS6KB1 (0.36) KDM4ENR3C2GRIN3BGRIN1GRIN2C
Hydrochloric Acid SCHEMBL28042958 0.76 GRIN3B (0.32) GRIN3BGRIN1GRIN2CNTRK1PIM1
SCHEMBL31046821 0.73 PDE3B (0.38) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL10647365 0.71 KDM4E (0.48) KDM4EHPGDHSD17B10POLBL3MBTL1
SCHEMBL5739044 0.71 PDE3B (0.41) PDE3BPDE3AHPGDDPP4DPP8
SCHEMBL14857133 0.71 MEN1 (0.47) KDM4ENTRK1PIM1POLB

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 PDE3B 17/4885PDE3A 20/4885KDM4E 1501/4885

“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.