SCHEMBL772389

SCHEMBL772389

N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccc3c(C4CCCCC4)c4n(c3c2)CCOc2ccccc2-4)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.45
MMP12 P39900 1/20 0.45
NR1I2 O75469 1/20 0.39
SCN9A Q15858 5/20 0.39
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
DRD3 P35462 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
F2RL1 P55085 2/20 0.35
F2RL3 Q96RI0 1/20 0.35
CNR1 P21554 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
DGAT2 Q96PD7 2/20 0.34
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL771613 0.91 PRKCA (0.52) PRKCAMMP12NR1I2SCN9ANPC1
SCHEMBL773382 0.84 PRKCA (0.52) PRKCAMMP12NR1I2SCN9ANPC1
SCHEMBL773464 0.83 PRKCA (0.45) PRKCAMMP12NR1I2SCN9ADRD2
SCHEMBL772778 0.80 PRKCA (0.45) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL772608 0.80 PRKCA (0.54) PRKCAMMP12NR1I2SCN9ANPC1
SCHEMBL30486080 0.80 PRKCA (0.64) PRKCAMMP12NR1I2SCN9ANPC1
SCHEMBL772828 0.80 PRKCA (0.64) PRKCAMMP12NR1I2SCN9ANPC1
SCHEMBL772124 0.80 PRKCA (0.49) PRKCAMMP12NR1I2SCN9ANPC1
SCHEMBL772113 0.80 PRKCA (0.55) PRKCAMMP12NR1I2SCN9ANPC1
SCHEMBL773845 0.80 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ADRD2

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
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885NR1I2 1189/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885NR1I2 1189/4885

“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.