SCHEMBL825109

SCHEMBL825109

COc1ccc2c(c1)CC(C(=O)N1CC34CNCC3(CN(C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.57
SCN9A Q15858 7/20 0.50
NR1I2 O75469 6/20 0.50
CYP3A4 P08684 3/20 0.49
SCN5A Q14524 2/20 0.49
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 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
SCHEMBL825183 0.94 KCNH2 (0.52) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL825124 0.93 KCNH2 (0.56) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL825158 0.88 NR1I2 (0.61) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL825149 0.85 KCNH2 (0.58) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL825122 0.83 KCNH2 (0.75) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL16258528 0.82 NR1I2 (0.59) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL14889465 0.81 NR1I2 (0.57) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL4830180 0.80 NR1I2 (0.58) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL13940407 0.79 NR1I2 (0.51) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL13940575 0.79 NR1I2 (0.58) KCNH2SCN9ANR1I2CYP3A4SCN5A

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 7 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-8143244-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US 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
US-20100216774-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 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 2055/4885SCN9A 395/4885NR1I2 282/4885

“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.