SCHEMBL5436992

SCHEMBL5436992

CN1CCC2(CCN(C(=O)Cn3c(-c4ccccc4)c(C4CCCCC4)c4ccc(C(=O)O)cc43)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
CYP3A4 P08684 6/20 0.38
ENPP2 Q13822 1/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 1/20 0.35
SCN9A Q15858 4/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL2909117 0.86 PRKCA (0.44) PRKCAMMP12TSHRSCN9A
SCHEMBL14448757 0.86 PRKCA (0.39) PRKCAMMP12CYP3A4CYP2C19SCN9A
Trifluoroacetic Acid SCHEMBL5436676 0.84 PRKCA (0.42) PRKCAMMP12CYP3A4CYP2C19TSHR
SCHEMBL5439046 0.81 PRKCA (0.44) PRKCAMMP12CYP3A4CYP2C19SCN9A
SCHEMBL5198409 0.80 GRIN2B (0.43) PRKCAMMP12CYP3A4CYP2C19SCN9A
SCHEMBL5444413 0.80 PRKCA (0.46) PRKCAMMP12SCN9A
SCHEMBL5448433 0.79 POLB (0.49) PRKCAMMP12TSHR
SCHEMBL5436329 0.78 EPHX2 (0.41) PRKCAMMP12CYP3A4CYP2C19TSHR
SCHEMBL5441855 0.78 SCN9A (0.41) PRKCAMMP12CYP3A4CYP2C19SCN9A
SCHEMBL5435153 0.78 HTT (0.43) PRKCAMMP12TSHRSCN9A

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 7 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
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 PRKCA 4676/4885MMP12 3218/4885CYP3A4 116/4885

“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.