SCHEMBL3967094

SCHEMBL3967094

COc1ccc2c(c1)C=C(C(=O)N1CCCN(CCCN3CCOCC3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.58
SCN9A Q15858 7/20 0.48
KCNH2 Q12809 7/20 0.48
CYP3A4 P08684 3/20 0.42
SCN5A Q14524 2/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4828013 0.91 NR1I2 (0.68) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL13937014 0.90 NR1I2 (0.57) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL13841837 0.86 NR1I2 (0.55) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL13940670 0.85 NR1I2 (0.67) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL13937015 0.85 NR1I2 (0.57) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL13940106 0.84 NR1I2 (0.67) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL14435700 0.84 NR1I2 (0.66) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL13940672 0.84 NR1I2 (0.67) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL13936891 0.84 NR1I2 (0.81) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL13940404 0.83 NR1I2 (0.58) NR1I2SCN9AKCNH2CYP3A4SCN5A

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
US-7538102-B2 Compounds for the treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-26 US disclosed
US-7538102-B2 Compounds for the treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-26 US disclosed
US-7538102-B2 Compounds for the treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-26 US disclosed
US-20080226592-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
US-20080226592-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
US-20080226592-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
WO-2008112851-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 WO 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-20080226592-A1 Compounds for the Treatment of Hepatitis C SLC10A1, HAVCR2, OAT NR1I2 158/4885SCN9A 3801/4885KCNH2 3003/4885

“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.