SCHEMBL862912

SCHEMBL862912

COC(=O)c1c(C)nn(C(C)C)c1C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.39
NR1I2 O75469 6/20 0.37
CYP3A4 P08684 3/20 0.36
SCN5A Q14524 2/20 0.36
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SCN9A Q15858 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL862679 0.92 KCNH2 (0.38) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL863075 0.91 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL862680 0.90 KCNH2 (0.51) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL862929 0.90 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL862917 0.89 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL862702 0.88 KCNH2 (0.51) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL862738 0.87 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL16382289 0.85 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL862710 0.84 KCNH2 (0.37) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL16382220 0.84 KCNH2 (0.41) KCNH2NR1I2CYP3A4SCN5ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183252-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
US-8143243-B2 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylcarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[2-(4-morpholinylcarbonyl)phenyl]-, 1,1-dimethylethyl ester BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-8143243-B2 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylcarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[2-(4-morpholinylcarbonyl)phenyl]-, 1,1-dimethylethyl ester BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
WO-2010093359-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-19 WO disclosed
US-7652004-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-7652004-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-20090275561-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-20090275561-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-20090074715-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20090074715-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
WO-2009029384-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-05 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 (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-20090074715-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KCNH2 3808/4885NR1I2 189/4885CYP3A4 214/4885
US-20090275561-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KCNH2 3808/4885NR1I2 189/4885CYP3A4 214/4885

“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.