SCHEMBL5049356

SCHEMBL5049356

COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)NCc4ccccc4)cc3n2CC2(C(=O)O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SCN9A Q15858 6/20 0.43
KCNH2 Q12809 7/20 0.41
SCN5A Q14524 2/20 0.39
HTT P42858 1/20 0.37

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
SCHEMBL10082365 0.95 NR1I2 (0.44) NR1I2CYP3A4CYP2C9CYP2C19SCN9A
SCHEMBL84875 0.91 SCN9A (0.45) NR1I2CYP3A4CYP2C9CYP2C19SCN9A
SCHEMBL12450582 0.90 NR1I2 (0.46) NR1I2CYP3A4CYP2C9CYP2C19SCN9A
SCHEMBL5049349 0.90 SCN9A (0.46) NR1I2CYP3A4CYP2C9CYP2C19SCN9A
SCHEMBL5048729 0.89 SCN9A (0.46) NR1I2CYP3A4CYP2C9CYP2C19SCN9A
SCHEMBL10082380 0.88 KCNH2 (0.52) NR1I2CYP3A4CYP2C9CYP2C19SCN9A
SCHEMBL86128 0.88 SCN9A (0.56) NR1I2CYP3A4SCN9AKCNH2SCN5A
SCHEMBL5051048 0.87 KCNH2 (0.46) NR1I2CYP3A4CYP2C9CYP2C19SCN9A
SCHEMBL848226 0.87 KCNH2 (0.52) NR1I2CYP3A4CYP2C9CYP2C19SCN9A
SCHEMBL5048310 0.86 SCN9A (0.44) NR1I2CYP3A4CYP2C9CYP2C19SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120115847-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-05-10 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 NR1I2 298/4885CYP3A4 54/4885CYP2C9 39/4885
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS NR1I2 298/4885CYP3A4 54/4885CYP2C9 39/4885
US-20120115847-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NR1I2 189/4885CYP3A4 214/4885CYP2C9 345/4885
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS NR1I2 298/4885CYP3A4 54/4885CYP2C9 39/4885

“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.