SCHEMBL5411566

SCHEMBL5411566

CC(C)(C)OC(=O)NCCCCCn1cnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.49
MAPK10 P53779 1/20 0.49
MAPK14 Q16539 1/20 0.49
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
FRK P42685 1/20 0.48
MAPK9 P45984 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
GSK3B P49841 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
PTGS2 P35354 2/20 0.48
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
DRD2 P14416 4/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL4410122 0.78 FAAH (0.65) FAAHCKS1BSKP1SKP2DRD2
SCHEMBL27539138 0.78 ESR1 (0.52) GSK3BCKS1BSKP1SKP2DRD2
SCHEMBL1947050 0.78 CNR2 (0.48) FAAHCKS1BSKP1SKP2DRD2
SCHEMBL6594809 0.76 MAP4K4 (0.58) MAPK10MAPK14PRKD3MAP4K4FRK
SCHEMBL14288459 0.76 LMNA (0.55) MAPK10MAPK14PRKD3MAP4K4FRK
SCHEMBL25341649 0.76 DRD2 (0.46) DRD2TDP1
SCHEMBL6593810 0.76 PRKD3 (0.54) MAPK10MAPK14PRKD3MAP4K4FRK
SCHEMBL8104120 0.75 PTGS2 (0.65) MAPK10MAPK14PRKD3MAP4K4FRK
SCHEMBL5354727 0.75 PDPK1 (0.44) GSK3BDRD2
SCHEMBL22492845 0.74 CKS1B (0.45) FAAHCKS1BSKP1SKP2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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 (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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 FAAH 2554/4885MAPK10 3071/4885MAPK14 3936/4885

“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.