SCHEMBL771659

SCHEMBL771659

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 9/20 0.39
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 7/20 0.39
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
CTSG P08311 1/20 0.36
MAOA P21397 1/20 0.36
DRD1 P21728 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL772488 0.94 NR1I2 (0.40) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL771380 0.94 NR1I2 (0.40) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL775190 0.92 ESR1 (0.40) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL2202854 0.92 NR1I2 (0.39) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL2202880 0.91 CYP3A4 (0.41) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL774602 0.91 NR1I2 (0.38) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL771847 0.91 CYP3A4 (0.40) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL772418 0.91 NR1I2 (0.38) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL772415 0.91 NR1I2 (0.41) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL773807 0.90 PRKCA (0.48) NR1I2PRKCAMMP12CYP3A4CYP2C9

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 NR1I2 1189/4885PRKCA 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.