SCHEMBL5444176

SCHEMBL5444176

CN(C)CC1CN(C(=O)Cn2c(-c3ccc(F)cc3)c(C3CCCCC3)c3ccc(-c4noc(=O)[nH]4)cc32)CCO1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.35
GRIN1 Q05586 1/20 0.35
DPP4 P27487 1/20 0.34
KCNH2 Q12809 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
AGTR1 P30556 1/20 0.33
CCKAR P32238 2/20 0.33
CCKBR P32239 2/20 0.33
XDH P47989 1/20 0.33
CYP19A1 P11511 1/20 0.33
GRM5 P41594 1/20 0.32
HRH1 P35367 1/20 0.32
ACKR3 P25106 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
SCHEMBL5440041 0.91 SCN9A (0.36) DPP4KCNH2DPP7AGTR1CCKAR
SCHEMBL5442594 0.89 ALDH1A1 (0.33) GRIN2BGRIN1DPP4KCNH2DPP7
SCHEMBL5430255 0.81 GRIN2B (0.41) GRIN2BGRIN1DPP4KCNH2DPP7
SCHEMBL5452208 0.81 CDYL (0.38) AGTR1CCKARCCKBRXDH
SCHEMBL5433792 0.80 KCNH2 (0.35) DPP4KCNH2DPP7AGTR1CCKAR
SCHEMBL5432942 0.79 CCKAR (0.39) GRIN2BGRIN1DPP4KCNH2DPP7
SCHEMBL5445814 0.79 CDYL (0.40) GRIN2BDPP4KCNH2DPP7AGTR1
SCHEMBL5444052 0.79 SCN9A (0.40) DPP4KCNH2DPP7AGTR1CCKAR
SCHEMBL5434729 0.78 AVPR1B (0.35) DPP4KCNH2DPP7AGTR1CCKAR
SCHEMBL5444268 0.78 CDYL (0.40) GRIN2BGRIN1DPP4KCNH2DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 GRIN2B 2160/4885GRIN1 921/4885DPP4 1241/4885

“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.