SCHEMBL5439147

SCHEMBL5439147

CN(C)C1CCN(C(=O)Cn2c(-c3ccc(CN4CCCCC4)o3)c(C3CCCCC3)c3ccc(-c4noc(=O)[nH]4)cc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
ALK Q9UM73 2/20 0.34
TLR9 Q9NR96 8/20 0.33
TLR8 Q9NR97 8/20 0.33
TLR7 Q9NYK1 8/20 0.33
CCKAR P32238 2/20 0.32
CCKBR P32239 2/20 0.32
XDH P47989 2/20 0.32
AGTR1 P30556 1/20 0.32
DPP4 P27487 1/20 0.31
KCNH2 Q12809 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL5452208 0.85 CDYL (0.38) CDYLCDY1; CDY1BCCKARCCKBRXDH
SCHEMBL5444052 0.84 SCN9A (0.40) CDYLCDY1; CDY1BTLR9TLR8TLR7
SCHEMBL5444268 0.83 CDYL (0.40) CDYLCDY1; CDY1BCCKARCCKBRXDH
SCHEMBL5445814 0.83 CDYL (0.40) CDYLCDY1; CDY1BCCKARCCKBRAGTR1
SCHEMBL5433300 0.82 CYP3A4 (0.38) CDYLCDY1; CDY1BXDH
SCHEMBL5434235 0.82 NPC1 (0.38) CDYLCDY1; CDY1BCCKARCCKBRAGTR1
Trifluoroacetic Acid SCHEMBL5446298 0.81 DPP4 (0.38) CDYLCDY1; CDY1BTLR9TLR8TLR7
Trifluoroacetic Acid SCHEMBL5441107 0.80 DPP4 (0.41) CDYLCDY1; CDY1BTLR9TLR8TLR7
SCHEMBL5442594 0.79 ALDH1A1 (0.33) TLR8TLR7CCKARCCKBRXDH
SCHEMBL5434729 0.77 AVPR1B (0.35) CCKARCCKBRXDHAGTR1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007516158-A 2007-06-21 JP claimed
EP-1613634-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-01-11 EP claimed
WO-2004087714-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-10-14 WO claimed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
EP-1613634-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-01-11 EP disclosed
WO-2004087714-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-10-14 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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT CDYL 1358/4885CDY1; CDY1B 1235/4885ALK 3865/4885

“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.