SCHEMBL840725

SCHEMBL840725

COc1ccc2c(c1)C=C(c1ocnc1C(=O)O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)OC(C)(C)C)cc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.36
KCNH2 Q12809 7/20 0.35
CYP3A4 P08684 3/20 0.34
SCN5A Q14524 2/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCN9A Q15858 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
SCHEMBL862557 0.95 KCNH2 (0.38) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL862554 0.91 NR1I2 (0.44) NR1I2KCNH2SCN9A
SCHEMBL841723 0.89 KCNH2 (0.39) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL863087 0.85 KCNH2 (0.38) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL841219 0.85 NR1I2 (0.47) NR1I2KCNH2PRKCAMMP12SCN9A
SCHEMBL51368 0.84 NR1I2 (0.42) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL10186136 0.84 NR1I2 (0.39) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL862852 0.82 KCNH2 (0.40) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13257929 0.82 KCNH2 (0.36) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL15949105 0.82 KCNH2 (0.39) NR1I2KCNH2CYP3A4SCN5APRKCA

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 16 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
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
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-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-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
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 NR1I2 189/4885KCNH2 3808/4885CYP3A4 214/4885
US-20090275561-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NR1I2 189/4885KCNH2 3808/4885CYP3A4 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.