SCHEMBL793024

SCHEMBL793024

CN1CCn2c(c(C3CCCCC3)c3ccc(OC=O)cc32)-c2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
NR1I2 O75469 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CCR6 P51684 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN9A Q15858 1/20 0.33
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
KCNH2 Q12809 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
SCHEMBL792811 0.87 MTNR1A (0.40) PRKCAMMP12SCN9AMTNR1AMTNR1B
SCHEMBL792376 0.86 MTNR1A (0.41) PRKCAMMP12KDM4EALDH1A1LMNA
SCHEMBL792683 0.83 CNR1 (0.37) PRKCAMMP12NR1I2KDM4EALDH1A1
SCHEMBL13286272 0.81 PRKCA (0.44) PRKCAMMP12NR1I2KDM4EALDH1A1
SCHEMBL3085838 0.81 PRKCA (0.51) PRKCAMMP12NR1I2KDM4EALDH1A1
SCHEMBL12429623 0.80 SCN9A (0.43) PRKCAMMP12NR1I2ALDH1A1LMNA
SCHEMBL793064 0.79 SCN9A (0.33) PRKCAMMP12NR1I2SCN9A
SCHEMBL792554 0.79 SCN9A (0.35) PRKCAMMP12NR1I2ALDH1A1TP53
SCHEMBL792822 0.79 PRKCA (0.44) PRKCAMMP12NR1I2SCN9A
SCHEMBL10283188 0.79 PRKCA (0.34) PRKCAMMP12NR1I2KDM4EALDH1A1

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 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.