SCHEMBL896350

SCHEMBL896350

CN(C)CCN1CCn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.58
MMP12 P39900 1/20 0.58
NR1I2 O75469 2/20 0.42
SCN9A Q15858 1/20 0.38
CSNK2A1 P68400 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CCR6 P51684 1/20 0.34
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL3085990 0.99 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACSNK2A1
SCHEMBL896122 0.99 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACSNK2A1
SCHEMBL3087256 0.91 PRKCA (0.48) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3088482 0.89 PRKCA (0.50) PRKCAMMP12NR1I2SCN9ACSNK2A1
SCHEMBL3086143 0.89 PRKCA (0.50) PRKCAMMP12NR1I2SCN9ACSNK2A1
SCHEMBL3095848 0.88 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACSNK2A1
SCHEMBL3587050 0.88 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACSNK2A1
SCHEMBL895975 0.88 PRKCA (0.49) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL895934 0.87 PRKCA (0.49) PRKCAMMP12NR1I2SCN9ACNR2
SCHEMBL895292 0.87 PRKCA (0.55) PRKCAMMP12NR1I2SCN9ACSNK2A1

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 89 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-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
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-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
EP-1879607-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-01-23 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
WO-2006119061-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2006-11-09 WO 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 (7 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 773/4885NR1I2 613/4885
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885NR1I2 643/4885
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 PRKCA 3523/4885MMP12 4707/4885NR1I2 242/4885
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 PRKCA 3874/4885MMP12 3319/4885NR1I2 144/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885NR1I2 643/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885NR1I2 643/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885NR1I2 643/4885

“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.