SCHEMBL853263

SCHEMBL853263

COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C(C)C)cc3n2CC2(C(=O)N3CC45CCC4(C3)CN(C3CC3)C5)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.52
NR1I2 O75469 8/20 0.44
CYP3A4 P08684 3/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 5/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL10154969 0.94 KCNH2 (0.50) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL10155283 0.94 KCNH2 (0.50) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL10155332 0.93 KCNH2 (0.49) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL10155803 0.92 KCNH2 (0.49) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL852759 0.92 KCNH2 (0.49) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL848528 0.92 KCNH2 (0.49) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL850768 0.92 KCNH2 (0.52) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL10155831 0.91 NR1I2 (0.53) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL851576 0.91 KCNH2 (0.48) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL13188157 0.89 KCNH2 (0.47) KCNH2NR1I2CYP3A4SCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401280-B1 Cyclopropyl fused indolobenzazepine hcv ns5b inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-05-01 EP disclosed
US-8143244-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20100216774-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 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-20100216774-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, EIF2AK2, HCCS KCNH2 2055/4885NR1I2 282/4885CYP3A4 163/4885

“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.