SCHEMBL13937015

SCHEMBL13937015

COc1ccc2c(c1)C=C(C(=O)N1CCC(C)(O)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.57
KCNH2 Q12809 7/20 0.52
SCN9A Q15858 7/20 0.52
CYP3A4 P08684 3/20 0.45
SCN5A Q14524 2/20 0.45
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL13937013 0.93 NR1I2 (0.56) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL13937012 0.92 NR1I2 (0.67) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL4828013 0.91 NR1I2 (0.68) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL13937014 0.90 NR1I2 (0.57) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL13868755 0.88 NR1I2 (0.54) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL51250 0.88 KCNH2 (0.56) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL50868 0.88 KCNH2 (0.56) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL13841837 0.87 NR1I2 (0.55) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL14149284 0.86 KCNH2 (0.55) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL13791861 0.85 NR1I2 (0.52) NR1I2KCNH2SCN9ACYP3A4SCN5A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485633-B2 RNA polymerase, HCV metalloprotease, HCV serine protease, HCV polymerase, HCV helicase inhibitor; liver disease; (+/-)-8-Cyclohexyl-N-4-(morpholinosulfonyl)-1,1a,2,12b-tetrahydro-11-methoxy-1a-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-03 US disclosed
US-7485633-B2 RNA polymerase, HCV metalloprotease, HCV serine protease, HCV polymerase, HCV helicase inhibitor; liver disease; (+/-)-8-Cyclohexyl-N-4-(morpholinosulfonyl)-1,1a,2,12b-tetrahydro-11-methoxy-1a-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-03 US disclosed
WO-2008111978-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 WO disclosed
US-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 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-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors ZC3HAV1, CYP3A5, SLC10A1 NR1I2 201/4885KCNH2 934/4885SCN9A 289/4885

“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.