SCHEMBL825258

SCHEMBL825258

CC[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.73
CYP3A4 P08684 3/20 0.73
SCN5A Q14524 2/20 0.73
NR1I2 O75469 10/20 0.72
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
SCN9A Q15858 3/20 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
SCHEMBL1010144 0.94 NR1I2 (0.72) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL1011222 0.94 NR1I2 (0.71) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL13839736 0.93 NR1I2 (0.70) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL13839735 0.93 NR1I2 (0.70) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL12954441 0.93 NR1I2 (0.70) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL1010843 0.91 KCNH2 (0.67) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL1012678 0.90 NR1I2 (0.68) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL13356046 0.90 NR1I2 (0.76) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL13356094 0.89 NR1I2 (0.77) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL12034561 0.89 NR1I2 (0.78) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-07-04 US disclosed
US-8143244-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20110311480-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-22 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 (4 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-20110311480-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-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS KCNH2 2019/4885CYP3A4 54/4885SCN5A 281/4885
US-20130171098-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.