SCHEMBL51368

SCHEMBL51368

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.42
KCNH2 Q12809 7/20 0.39
CYP3A4 P08684 3/20 0.39
SCN5A Q14524 2/20 0.39
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
SCN9A Q15858 1/20 0.34

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
SCHEMBL51345 0.94 NR1I2 (0.43) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL278177 0.94 NR1I2 (0.42) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL3365767 0.92 NR1I2 (0.46) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4498396 0.91 NR1I2 (0.45) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL862852 0.90 KCNH2 (0.40) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL15949105 0.90 KCNH2 (0.39) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14900142 0.88 NR1I2 (0.44) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13531015 0.88 NR1I2 (0.43) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL863087 0.88 KCNH2 (0.38) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL51278 0.87 KCNH2 (0.48) 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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9127010-B2 Preparation of 13-cyclohexyl-3-methoxy-6-[methyl-(2-{2-[methyl-(sulphamoyl)-amino]-ethoxy}-ethyl)-carbamoyl]-7H-indolo-[2,1-a]-[2]-benzazepine-10-carboxylic acid JANSSEN SCIENCES IRELAND UC (IE) 2015-09-08 US claimed
EP-2585438-B1 PREPARATION OF 13-CYCLOHEXYL-3-METHOXY-6-[METHYL-(2-{2-[METHYL-(SULPHAMOYL)-AMINO]-ETHOXY}-ETHYL)-CARBAMOYL]-7H-INDOLO-[2,1-a]-[2]-BENZAZEPINE-10-CARBOXYLIC ACID JANSSEN R & D IRELAND (IE) 2014-08-20 EP claimed
US-20130102777-A1 PREPARATION OF 13-CYCLOHEXYL-3-METHOXY-6-[METHYL-(2--ETHYL)-CARBAMOYL]-7H-INDOLO-[2,1-a]-[2]-BENZAZEPINE-10-CARBOXYLIC ACID JANSSEN R&D IRELAND (IL) 2013-04-25 US claimed
EP-2310396-B1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2017-09-06 EP disclosed
EP-2310396-B1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2017-09-06 EP disclosed
EP-2099804-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-03-22 EP disclosed
EP-2099804-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-03-22 EP disclosed
US-9427440-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-08-30 US disclosed
US-9427440-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-08-30 US disclosed
US-9427440-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-08-30 US disclosed
US-20150329482-A1 Preparation of 13-Cyclohexyl-3-Methoxy-6-[Methyl-(2-(2-[Methyl-(Sulphamoyl)-Amino]-Ethoxy}-Ethyl)-Carbamoyl]-7H-Indolo-{2,1-a]-[2]-Benzazepine-10-Carboxylic Acid JANSSEN SCIENCES IRELAND UC (IE) 2015-11-19 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
WO-2008089027-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-24 WO disclosed
WO-2008089027-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-24 WO disclosed
US-20080171015-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US disclosed
US-20080171015-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US disclosed
US-20080171015-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US disclosed
US-20080146537-A1 3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 8-[[8-cyclohexyl-5-[[[(dimethylamino)sulfonyl]amino]carbonyl]-1,12b-dihydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepin-1a(2H)-yl]carbonyl]-, phenylmethyl ester; RNA polymerase inhibitor; liver disease, including cirrhosis and hepatocellular carcinoma BRISTOL-MYERS SQUIBB COMPANY 2008-06-19 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 (5 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-20130102777-A1 PREPARATION OF 13-CYCLOHEXYL-3-METHOXY-6-[METHYL-(2--ETHYL)-CARBAMOYL]-7H-INDOLO-[2,1-a]-[2]-BENZAZEPINE-10-CARBOXYLIC ACID HTR3C, CHAT, KDM5C NR1I2 2234/4885KCNH2 112/4885CYP3A4 196/4885
US-20080146537-A1 3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 8-[[8-cyclohexyl-5-[[[(dimethylamino)sulfonyl]amino]carbonyl]-1,12b-dihydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepin-1a(2H)-yl]carbonyl]-, phenylmethyl ester; RNA polymerase inhibitor; liver disease, including cirrhosis and hepatocellular carcinoma ZC3HAV1, ODC1, MED1 NR1I2 343/4885KCNH2 1814/4885CYP3A4 2107/4885
US-20080171015-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NR1I2 189/4885KCNH2 3808/4885CYP3A4 214/4885
US-20150329482-A1 Preparation of 13-Cyclohexyl-3-Methoxy-6-[Methyl-(2-(2-[Methyl-(Sulphamoyl)-Amino]-Ethoxy}-Ethyl)-Carbamoyl]-7H-Indolo-{2,1-a]-[2]-Benzazepine-10-Carboxylic Acid HTR2A, HTR3C, HTR6 NR1I2 2347/4885KCNH2 153/4885CYP3A4 353/4885

“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.