SCHEMBL6492113

SCHEMBL6492113

CC(C)(C)OC(=O)Nc1cccc(CCNc2ccc(N)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.40
NR3C2 P08235 1/20 0.39
APP P05067 3/20 0.38
GLS O94925 1/20 0.37
CYP17A1 P05093 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CCR2 P41597 1/20 0.37
HDAC1 Q13547 1/20 0.36
SCN9A Q15858 3/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL6497053 0.85 NPC1 (0.46)
SCHEMBL7085610 0.85 MAPKAPK2 (0.45) MAPKAPK2NR3C2CYP17A1AURKARPS6KB1
SCHEMBL7085612 0.84 TAAR1 (0.40) MAPKAPK2NR3C2GLSCCR2SCN9A
SCHEMBL6492788 0.83 NR3C2 (0.45) MAPKAPK2NR3C2GLSCYP17A1CCR2
SCHEMBL6499724 0.82 ITGB3 (0.47) SCN9A
SCHEMBL28580348 0.82 NQO2 (0.49) NR3C2CCR2
Hydrochloric Acid SCHEMBL28586309 0.82 NR3C2 (0.44) MAPKAPK2NR3C2GLSCYP17A1CCR2
SCHEMBL6320838 0.80 NR3C2 (0.43) NR3C2GLSCYP17A1CCR2SCN9A
SCHEMBL19085130 0.79 NR3C2 (0.40) NR3C2APPGLSCYP17A1CCR2
SCHEMBL6489886 0.79 NR3C2 (0.39) MAPKAPK2NR3C2GLSCCR2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 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 (2 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR MAPKAPK2 2998/4885NR3C2 13/4885APP 630/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 MAPKAPK2 3154/4885NR3C2 725/4885APP 343/4885

“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.