SCHEMBL773045

SCHEMBL773045

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c(NCC(=O)N2CCCCC2)cccc1-3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 1/20 0.42
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
NR1I2 O75469 2/20 0.39
SCN9A Q15858 4/20 0.38
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PPM1D O15297 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 1/20 0.33
TSHR P16473 1/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 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
SCHEMBL772093 0.88 NR1I2 (0.38) ALDH1A1RAB9APRKCAMMP12NR1I2
SCHEMBL803834 0.87 SCN9A (0.34) ALDH1A1RAB9APRKCAMMP12NR1I2
SCHEMBL14572902 0.87 PRKCA (0.35) ALDH1A1RAB9APRKCAMMP12NR1I2
SCHEMBL773055 0.87 PRKCA (0.42) ALDH1A1RAB9APRKCAMMP12NR1I2
SCHEMBL773525 0.86 PRKCA (0.40) ALDH1A1RAB9APRKCAMMP12NR1I2
SCHEMBL771620 0.84 PRKCA (0.43) ALDH1A1PRKCAMMP12NR1I2SCN9A
SCHEMBL772094 0.84 PRKCA (0.41) ALDH1A1RAB9APRKCAMMP12NR1I2
SCHEMBL771466 0.83 PRKCA (0.42) ALDH1A1RAB9APRKCAMMP12NR1I2
SCHEMBL773225 0.82 PRKCA (0.42) ALDH1A1PRKCAMMP12NR1I2SCN9A
SCHEMBL772120 0.81 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACYP3A4

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-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
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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US 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 ALDH1A1 750/4885RAB9A 2410/4885PRKCA 2404/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885RAB9A 2410/4885PRKCA 2404/4885

“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.