SCHEMBL876909

SCHEMBL876909

COc1ccc2c(c1)CN(C)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 8/20 0.63
KCNH2 Q12809 7/20 0.63
CYP3A4 P08684 3/20 0.62
SCN5A Q14524 2/20 0.62
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SCN9A Q15858 5/20 0.47

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
SCHEMBL474906 0.89 KCNH2 (0.53) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL30065291 0.89 KCNH2 (0.53) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4776313 0.89 KCNH2 (0.53) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL877954 0.87 KCNH2 (0.56) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL895603 0.86 KCNH2 (0.47) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL5307774 0.85 NR1I2 (0.60) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14009599 0.85 NR1I2 (0.57) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL3893256 0.85 NR1I2 (0.61) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14009596 0.84 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL3893542 0.84 NR1I2 (0.61) 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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
EP-2953461-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2020-04-22 EP disclosed
EP-2953462-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2020-04-08 EP disclosed
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
EP-2953456-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-05-22 EP disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
EP-2086982-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
US-20090075869-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2009-03-19 US disclosed
US-7470664-B2 HCV NS3 protease inhibitors MERCK & CO., INC. (US) 2008-12-30 US disclosed
US-20080255038-A1 3-[(R)-2-(N,N-dimethylamino)ethylthio-Sar]-4-(gamma-hydroxymethylleucine)cyclosporin, for example, and pharmaceutical compositions prepared from the same, in combination with one or more NS5B polymerase inhibitors; use in treatment of hepatitis C virus; avoids need to use interferon or ribavirin SCYNEXIS, INC. 2008-10-16 US disclosed
WO-2008079206-A1 NUCLEOSIDE CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION MERCK & CO., INC. (US) 2008-07-03 WO disclosed
WO-2008057208-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
EP-1915053-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES Merck & Co., Inc. (US) 2008-04-30 EP disclosed
WO-2007022073-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES MERCK & CO., INC. (US) 2007-02-22 WO disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 US disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 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 (9 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-20070027071-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC NR1I2 613/4885KCNH2 4405/4885CYP3A4 154/4885
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NR1I2 643/4885KCNH2 4621/4885CYP3A4 1646/4885
US-20080255038-A1 3-[(R)-2-(N,N-dimethylamino)ethylthio-Sar]-4-(gamma-hydroxymethylleucine)cyclosporin, for example, and pharmaceutical compositions prepared from the same, in combination with one or more NS5B polymerase inhibitors; use in treatment of hepatitis C virus; avoids need to use interferon or ribavirin NSUN2, TPMT, EIF5B NR1I2 242/4885KCNH2 4505/4885CYP3A4 227/4885
US-20090075869-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC NR1I2 613/4885KCNH2 4405/4885CYP3A4 154/4885
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 NR1I2 144/4885KCNH2 1341/4885CYP3A4 189/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 NR1I2 643/4885KCNH2 4621/4885CYP3A4 1646/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NR1I2 643/4885KCNH2 4621/4885CYP3A4 1646/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NR1I2 643/4885KCNH2 4621/4885CYP3A4 1646/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 NR1I2 1191/4885KCNH2 3281/4885CYP3A4 212/4885

“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.