Sugi Predict

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SCHEMBL5434729

SCHEMBL5434729

CN(C)CC1CCCN(C(=O)Cn2c(-c3cccc(CN4CCCCC4)c3)c(C3CCCCC3)c3ccc(-c4noc(=O)[nH]4)cc32)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 6/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ CCKAR P32238 2/20 0.33
▸ CCKBR P32239 2/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ PLA2G2A P14555 1/20 0.32

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
SCHEMBL5433792 0.88 KCNH2 (0.35) DPP4KCNH2DPP7CCKARCCKBR
SCHEMBL5438852 0.86 AVPR1B (0.38) AVPR1BKCNH2CCKARCCKBRPARP1
SCHEMBL5444176 0.78 GRIN2B (0.35) DPP4KCNH2DPP7CCKARCCKBR
SCHEMBL5440567 0.78 AGTR1 (0.36) DPP4KCNH2DPP7CCKARCCKBR
SCHEMBL5434235 0.78 NPC1 (0.38) AVPR1BDPP4KCNH2DPP7CCKAR
SCHEMBL5440041 0.77 SCN9A (0.36) DPP4KCNH2DPP7CCKARCCKBR
SCHEMBL5439147 0.77 CDYL (0.36) DPP4KCNH2DPP7CCKARCCKBR
SCHEMBL5432942 0.77 CCKAR (0.39) DPP4KCNH2DPP7CCKARCCKBR
SCHEMBL5430255 0.76 GRIN2B (0.41) DPP4KCNH2DPP7CCKARCCKBR
SCHEMBL5452208 0.76 CDYL (0.38) CCKARCCKBRAGTR1XDH

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 6 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

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 AVPR1B 1441/4885DPP4 1241/4885KCNH2 2111/4885

“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.