SCHEMBL13936722

SCHEMBL13936722

CC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1(C(=O)O)CC1c1cc(OCc2ccccc2)ccc1-3

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 9/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KCNH2 Q12809 7/20 0.51
SCN5A Q14524 2/20 0.50
MAOB P27338 2/20 0.39
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL4853581 0.95 NR1I2 (0.54) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL13936766 0.93 NR1I2 (0.57) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL13936720 0.91 NR1I2 (0.52) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL4006860 0.89 NR1I2 (0.57) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL4006979 0.88 NR1I2 (0.72) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL14426680 0.88 NR1I2 (0.55) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL4010443 0.85 NR1I2 (0.53) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL13936767 0.84 NR1I2 (0.54) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL4492772 0.83 KCNH2 (0.63) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL3928566 0.83 KCNH2 (0.63) NR1I2CYP3A4CYP2C9CYP2C19KCNH2

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-7485633-B2 RNA polymerase, HCV metalloprotease, HCV serine protease, HCV polymerase, HCV helicase inhibitor; liver disease; (+/-)-8-Cyclohexyl-N-4-(morpholinosulfonyl)-1,1a,2,12b-tetrahydro-11-methoxy-1a-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-03 US disclosed
US-7399758-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-07-15 US disclosed
US-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 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 (2 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-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors ZC3HAV1, CYP3A5, SLC10A1 NR1I2 201/4885CYP3A4 41/4885CYP2C9 19/4885
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors ZC3HAV1, CYP3A5, SLC10A1 NR1I2 201/4885CYP3A4 41/4885CYP2C9 19/4885

“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.