SCHEMBL793064

SCHEMBL793064

O=COc1ccc2c(C3CCCCC3)c3n(c2c1)CCSc1ccccc1-3

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
NR1I2 O75469 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
SCHEMBL793115 0.90 PRKCA (0.34) SCN9APRKCAMMP12NR1I2
SCHEMBL792811 0.83 MTNR1A (0.40) SCN9APRKCAMMP12
SCHEMBL792376 0.82 MTNR1A (0.41) SCN9APRKCAMMP12
SCHEMBL793067 0.81 PRKCA (0.36) SCN9APRKCAMMP12NR1I2
SCHEMBL792554 0.80 SCN9A (0.35) SCN9APRKCAMMP12NR1I2
SCHEMBL792822 0.80 PRKCA (0.44) SCN9APRKCAMMP12NR1I2
SCHEMBL771567 0.80 PRKCA (0.51) SCN9APRKCAMMP12NR1I2
SCHEMBL793024 0.79 PRKCA (0.34) SCN9APRKCAMMP12NR1I2
SCHEMBL772081 0.79 SCN9A (0.43) SCN9APRKCAMMP12NR1I2
SCHEMBL792720 0.78 PRKCA (0.45) SCN9APRKCAMMP12NR1I2

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 2 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

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SCN9A 3087/4885PRKCA 2404/4885MMP12 1013/4885

“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.