SCHEMBL6500770

SCHEMBL6500770

CC(C)(C)OC(=O)Nc1cccc(CCOc2ccc(N)cn2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
MAPKAPK2 P49137 10/20 0.40
NR3C2 P08235 1/20 0.38
ITGB6 P18564 1/20 0.37
SCN9A Q15858 1/20 0.36
MAPK8 P45983 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CCR2 P41597 1/20 0.35
HDAC1 Q13547 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35

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
SCHEMBL6680383 0.87 MAPKAPK2 (0.41) ITGB3ITGAVMAPKAPK2NR3C2ITGB6
SCHEMBL6680385 0.86 MAPKAPK2 (0.38) MAPKAPK2NR3C2SCN9AMAPK8CCR2
SCHEMBL6499724 0.86 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7086791 0.84 CYP1A2 (0.41) ITGB3ITGAVITGB1ITGA5
SCHEMBL6492788 0.81 NR3C2 (0.45) MAPKAPK2NR3C2SCN9AMAPK8CHRNB2
SCHEMBL6491199 0.80 SIRT1 (0.44) MAPKAPK2CCR2HDAC1
SCHEMBL6499366 0.80 NR3C2 (0.37) MAPKAPK2NR3C2SCN9AMAPK8CHRNB2
SCHEMBL7085610 0.80 MAPKAPK2 (0.45) MAPKAPK2NR3C2
Hydrochloric Acid SCHEMBL28586309 0.80 NR3C2 (0.44) MAPKAPK2NR3C2SCN9AMAPK8CHRNB2
SCHEMBL6679908 0.79 NR3C2 (0.45) MAPKAPK2NR3C2SCN9AMAPK8CHRNB2

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 3 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
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 (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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 ITGB3 2225/4885ITGAV 2516/4885ITGB1 642/4885

“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.