SCHEMBL771933

SCHEMBL771933

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)OC(C)(C)C)cc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.41
KCNH2 Q12809 7/20 0.40
NR1I2 O75469 5/20 0.39
CYP3A4 P08684 3/20 0.37
SCN5A Q14524 2/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL772487 0.94 LNPEP (0.43) KCNH2NR1I2CYP3A4SCN5ACTSL
SCHEMBL771927 0.92 KCNH2 (0.41) KCNH2NR1I2CYP3A4SCN5ACTSL
SCHEMBL771810 0.91 KCNH2 (0.42) KCNH2NR1I2CYP3A4SCN5ALNPEP
SCHEMBL772772 0.90 KCNH2 (0.41) KCNH2NR1I2CYP3A4SCN5ACTSL
SCHEMBL772071 0.90 KCNH2 (0.39) ROCK2KCNH2NR1I2CYP3A4SCN5A
SCHEMBL771672 0.90 KCNH2 (0.42) ROCK2KCNH2NR1I2CYP3A4SCN5A
SCHEMBL13285980 0.90 KCNH2 (0.41) KCNH2NR1I2CYP3A4SCN5ACTSL
SCHEMBL774488 0.90 KCNH2 (0.41) KCNH2NR1I2CYP3A4SCN5ACTSL
SCHEMBL804270 0.89 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5ACTSL
SCHEMBL804254 0.89 KCNH2 (0.43) KCNH2NR1I2CYP3A4SCN5ACTSL

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 4 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

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 ROCK2 4024/4885KCNH2 3813/4885NR1I2 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.