SCHEMBL3365767

SCHEMBL3365767

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)O)=Cc1cc(OC)ccc1-3

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.46
KCNH2 Q12809 7/20 0.43
CYP3A4 P08684 3/20 0.42
SCN5A Q14524 2/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL3892864 0.95 NR1I2 (0.47) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4498396 0.94 NR1I2 (0.45) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL50717 0.93 NR1I2 (0.46) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL51368 0.92 NR1I2 (0.42) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14900142 0.91 NR1I2 (0.44) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14253906 0.90 NR1I2 (0.46) NR1I2KCNH2CYP3A4CYP2C19PRKCA
SCHEMBL14253412 0.89 NR1I2 (0.45) NR1I2KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL19316490 0.89 NR1I2 (0.45) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14253918 0.89 NR1I2 (0.44) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL841197 0.89 NR1I2 (0.44) NR1I2KCNH2CYP3A4SCN5ACYP2C9

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099804-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-03-22 EP disclosed
EP-2114947-B1 INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
EP-1987038-B1 HCV NS5B INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-10-06 EP disclosed
US-7541352-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-7541351-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-7541352-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-7541351-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
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-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-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-20070185083-A1 HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
WO-2007033032-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 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 (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-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors ZC3HAV1, CYP3A5, SLC10A1 NR1I2 201/4885KCNH2 934/4885CYP3A4 41/4885
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B NR1I2 168/4885KCNH2 356/4885CYP3A4 25/4885
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors ZC3HAV1, CYP3A5, SLC10A1 NR1I2 201/4885KCNH2 934/4885CYP3A4 41/4885
US-20070185083-A1 HCV NS5B Inhibitors EIF2AK2, HAVCR2, EIF5B NR1I2 221/4885KCNH2 4243/4885CYP3A4 577/4885

“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.