SCHEMBL772710

SCHEMBL772710

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)NC(C)(C)c3nc4cc(/C=C/C(=O)O)ccc4[nH]3)cc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.42
CYP2C19 P33261 14/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2D6 P10635 2/20 0.42
NR1I2 O75469 2/20 0.39
KCNH2 Q12809 1/20 0.38
CYP1A2 P05177 1/20 0.38
CTSG P08311 1/20 0.37
MAOA P21397 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 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
SCHEMBL772711 1.00 CYP3A4 (0.42) CYP3A4CYP2C19CYP2C9CYP2D6NR1I2
SCHEMBL772285 0.91 PRKCA (0.39) CYP3A4CYP2C19CYP2C9CYP2D6NR1I2
SCHEMBL773682 0.90 NR1I2 (0.38) CYP3A4CYP2C19CYP2C9NR1I2KCNH2
SCHEMBL773906 0.89 NR1I2 (0.38) CYP3A4NR1I2KCNH2CTSGMAOA
SCHEMBL772073 0.89 NR1I2 (0.39) CYP3A4CYP2C19CYP2C9CYP2D6NR1I2
SCHEMBL772018 0.88 NR1I2 (0.40) CYP3A4CYP2C19CYP2C9NR1I2KCNH2
SCHEMBL773052 0.88 NR1I2 (0.40) CYP3A4CYP2C19CYP2C9NR1I2KCNH2
SCHEMBL772773 0.88 NR1I2 (0.37) CYP3A4CYP2C19CYP2C9NR1I2KCNH2
SCHEMBL772904 0.87 PRKCA (0.39) CYP3A4CYP2C19CYP2C9NR1I2KCNH2
SCHEMBL774563 0.87 KCNH2 (0.36) CYP3A4CYP2C19CYP2C9NR1I2KCNH2

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 9 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-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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 CYP3A4 1341/4885CYP2C19 1316/4885CYP2C9 976/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP3A4 1341/4885CYP2C19 1316/4885CYP2C9 976/4885

“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.