SCHEMBL895975

SCHEMBL895975

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.49
MMP12 P39900 1/20 0.49
KCNH2 Q12809 7/20 0.44
NR1I2 O75469 6/20 0.44
CYP3A4 P08684 3/20 0.44
SCN5A Q14524 2/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SCN9A Q15858 2/20 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
SCHEMBL3083577 0.93 KCNH2 (0.45) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL4152682 0.89 PRKCA (0.39) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL4149639 0.89 PRKCA (0.39) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL3086143 0.89 PRKCA (0.50) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL3088482 0.89 PRKCA (0.50) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL896350 0.88 PRKCA (0.58) PRKCAMMP12NR1I2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL3085990 0.87 PRKCA (0.57) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL896122 0.87 PRKCA (0.57) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL895603 0.87 KCNH2 (0.47) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL894723 0.87 PRKCA (0.48) PRKCAMMP12KCNH2NR1I2CYP3A4

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
WO-2008142055-A2 ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-11-27 WO disclosed
EP-1915053-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES Merck & Co., Inc. (US) 2008-04-30 EP disclosed
EP-1807403-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-07-18 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
WO-2006046030-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-05-04 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 (8 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 PRKCA 2980/4885MMP12 773/4885KCNH2 4405/4885
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885KCNH2 4621/4885
US-20090075869-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC PRKCA 2980/4885MMP12 773/4885KCNH2 4405/4885
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 PRKCA 3874/4885MMP12 3319/4885KCNH2 1341/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885KCNH2 4621/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885KCNH2 4621/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885KCNH2 4621/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 PRKCA 559/4885MMP12 3480/4885KCNH2 3281/4885

“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.