SCHEMBL792906

SCHEMBL792906

Cc1ccc2c(c1)N(C)C(C)Cn1c-2c(C2CCCCC2)c2ccc(OC=O)cc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.35
NR1I2 O75469 7/20 0.34
CYP3A4 P08684 2/20 0.33
SCN5A Q14524 2/20 0.33
PRKCA P17252 1/20 0.32
MMP12 P39900 1/20 0.32
SCN9A Q15858 1/20 0.30

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
SCHEMBL792905 0.87 PRKCA (0.35) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL10283237 0.81 PRKCA (0.48) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL12429439 0.81 KCNH2 (0.41) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL804489 0.79 KCNH2 (0.32) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL10283255 0.78 PRKCA (0.39) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL792664 0.76 CNR2 (0.34) NR1I2SCN9A
SCHEMBL792730 0.75 KCNH2 (0.31) KCNH2NR1I2
SCHEMBL793024 0.70 PRKCA (0.34) KCNH2NR1I2PRKCAMMP12SCN9A
SCHEMBL792918 0.70 NR1I2 (0.36) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL792811 0.70 MTNR1A (0.40) PRKCAMMP12SCN9A

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 KCNH2 3813/4885NR1I2 1189/4885CYP3A4 1341/4885

“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.