SCHEMBL50642

SCHEMBL50642

CCOC1c2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.61
CYP3A4 P08684 3/20 0.61
SCN5A Q14524 2/20 0.61
NR1I2 O75469 8/20 0.60
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
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
SCHEMBL14253915 0.92 NR1I2 (0.63) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL2637665 0.88 NR1I2 (0.64) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL18661375 0.85 KCNH2 (0.43) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL50643 0.85 NR1I2 (0.46) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL3857111 0.84 KCNH2 (0.47) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL14081119 0.82 NR1I2 (0.68) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL12034515 0.81 KCNH2 (0.67) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL13955500 0.81 KCNH2 (0.67) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL14070604 0.81 KCNH2 (0.67) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL825258 0.81 KCNH2 (0.73) KCNH2CYP3A4SCN5ANR1I2CYP2C9

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 139 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099804-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-03-22 EP disclosed
EP-2099804-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-03-22 EP disclosed
EP-2518073-B1 Compounds for the treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2015-08-26 EP disclosed
EP-2118109-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
EP-2118109-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-03 US disclosed
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-03 US disclosed
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-13 US disclosed
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-13 US disclosed
EP-2114947-B1 INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
US-20070275930-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-29 US disclosed
WO-2007136982-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-29 WO disclosed
US-20070275930-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-29 US disclosed
US-20070275930-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-29 US disclosed
US-20070270405-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US disclosed
US-20070270405-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US disclosed
US-20070270405-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US disclosed
US-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US disclosed
US-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US disclosed
US-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 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 (5 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-20070270405-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS KCNH2 2019/4885CYP3A4 54/4885SCN5A 281/4885
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS KCNH2 2019/4885CYP3A4 54/4885SCN5A 281/4885
US-20070275930-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS KCNH2 2019/4885CYP3A4 54/4885SCN5A 281/4885
US-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS KCNH2 2019/4885CYP3A4 54/4885SCN5A 281/4885
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS KCNH2 2019/4885CYP3A4 54/4885SCN5A 281/4885

“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.