SCHEMBL774133

SCHEMBL774133

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCCn1cccc1-3

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.46
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
CNR2 P34972 1/20 0.37
NR1I2 O75469 5/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 6/20 0.36
SCN5A Q14524 1/20 0.35

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
SCHEMBL771443 0.88 SCN9A (0.46) SCN9ACYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL14253332 0.83 SCN9A (0.45) SCN9AALDH1A1NPSR1CYP3A4KDM4E
SCHEMBL13734606 0.83 SCN9A (0.43) SCN9AALDH1A1NPSR1CYP3A4KDM4E
SCHEMBL792548 0.81 SCN9A (0.37) SCN9ANPSR1KDM4ELMNAPRKCA
SCHEMBL13736103 0.80 SCN9A (0.42) SCN9AALDH1A1NPSR1CYP3A4KDM4E
SCHEMBL13736160 0.80 SCN9A (0.42) SCN9AALDH1A1NPSR1CYP3A4KDM4E
SCHEMBL3084872 0.80 SCN9A (0.45) SCN9AALDH1A1NPSR1CYP3A4CYP2C9
SCHEMBL3569189 0.80 SCN9A (0.45) SCN9AALDH1A1NPSR1CYP3A4KDM4E
SCHEMBL771196 0.80 SCN9A (0.49) SCN9AALDH1A1NPSR1CYP3A4KDM4E
SCHEMBL13734552 0.79 SCN9A (0.42) SCN9AALDH1A1NPSR1CYP3A4KDM4E

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
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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US 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 SCN9A 3087/4885ALDH1A1 750/4885NPSR1 3973/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SCN9A 3087/4885ALDH1A1 750/4885NPSR1 3973/4885

“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.