SCHEMBL771675

SCHEMBL771675

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)N[C@@H](Cc3c[nH]c4ccc(OCC(=O)O)cc34)c3csc(C)n3)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
KCNH2 Q12809 7/20 0.34
NR1I2 O75469 5/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
SCN5A Q14524 2/20 0.32
LMNA P02545 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
SCHEMBL12429115 0.96 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL774427 0.94 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2201045 0.93 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2200713 0.93 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3841663 0.83 KCNH2 (0.38) CYP3A4CYP2C9CYP2C19KCNH2NR1I2
SCHEMBL773151 0.83 KCNH2 (0.38) CYP3A4CYP2C9CYP2C19KCNH2NR1I2
SCHEMBL2203659 0.82 KCNH2 (0.38) CYP3A4CYP2C9CYP2C19KCNH2NR1I2
SCHEMBL12429113 0.82 KCNH2 (0.39) CYP3A4CYP2C9CYP2C19KCNH2NR1I2
SCHEMBL772860 0.80 NR1I2 (0.38) CYP3A4CYP2C9CYP2C19KCNH2NR1I2
SCHEMBL3779164 0.80 GAA (0.45) TRPV1KDM4EMAPT

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 8 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
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 1341/4885CYP2C9 976/4885CYP2C19 1316/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP3A4 1341/4885CYP2C9 976/4885CYP2C19 1316/4885

“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.