SCHEMBL14009596

SCHEMBL14009596

COc1ccc2c(c1)CC(S(=O)(=O)CCN1CCN(C)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 8/20 0.58
KCNH2 Q12809 7/20 0.58
CYP3A4 P08684 3/20 0.58
SCN5A Q14524 2/20 0.58
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SCN9A Q15858 5/20 0.43

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
SCHEMBL14345157 0.94 KCNH2 (0.55) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14009641 0.94 KCNH2 (0.55) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14009597 0.90 KCNH2 (0.57) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14009603 0.85 NR1I2 (0.57) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940556 0.85 NR1I2 (0.56) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL3893256 0.84 NR1I2 (0.61) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL876909 0.84 NR1I2 (0.63) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL3893542 0.84 NR1I2 (0.61) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13965938 0.83 NR1I2 (0.59) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4554674 0.83 NR1I2 (0.59) NR1I2KCNH2CYP3A4SCN5ACYP2C9

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-7456167-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456167-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
WO-2007140254-A2 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
US-20070275947-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-29 US disclosed
US-20070275947-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-29 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-20070275947-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS NR1I2 298/4885KCNH2 2019/4885CYP3A4 54/4885

“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.