SCHEMBL6500853

SCHEMBL6500853

Cc1ccc(C(=O)Nc2ccc(OCCc3cccc(NC(=O)O)n3)cc2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
ITGB3 P05106 6/20 0.41
ITGB1 P05556 6/20 0.41
ITGAV P06756 6/20 0.41
ITGA5 P08648 6/20 0.41
OPRL1 P41146 1/20 0.41
SORT1 Q99523 3/20 0.41
APOB P04114 2/20 0.41
MTTP P55157 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
GCGR P47871 1/20 0.41
SMO Q99835 1/20 0.41
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL6492604 0.92 MTTP (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ITGB3
SCHEMBL6789084 0.90 SMO (0.48) CHRNB2CHRNB4CHRNA3CHRNA4OPRL1
SCHEMBL6501001 0.89 OPRL1 (0.43) ITGB1ITGA5OPRL1APOBMTTP
SCHEMBL6490835 0.87 SMO (0.50) APOBMTTPSMOEGLN1
SCHEMBL7133280 0.86 SORT1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ITGB3
SCHEMBL6502751 0.86 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ITGB3
SCHEMBL6499727 0.85 OPRL1 (0.43) OPRL1APOBMTTPGCGRSMO
SCHEMBL6491507 0.85 MTTP (0.49) CHRNB2CHRNB4CHRNA3CHRNA4OPRL1
SCHEMBL6490619 0.85 ITGB3 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4ITGB3
SCHEMBL6497723 0.83 APOB (0.46) SORT1APOBMTTPSMO

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 CHRNB2 767/4885CHRNB4 2181/4885CHRNA3 1702/4885

“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.