SCHEMBL895645

SCHEMBL895645

CN1CCC(N2Cc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)O)cc4n3CC2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.47
MMP12 P39900 1/20 0.47
NR1I2 O75469 5/20 0.41
SCN9A Q15858 2/20 0.39
MTR Q99707 1/20 0.36
OGFRL1 Q5TC84 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL30065382 0.87 PRKCA (0.51) PRKCAMMP12NR1I2SCN9A
SCHEMBL896011 0.87 PRKCA (0.51) PRKCAMMP12NR1I2SCN9A
SCHEMBL772286 0.85 PRKCA (0.54) PRKCAMMP12NR1I2SCN9A
SCHEMBL3085838 0.85 PRKCA (0.51) PRKCAMMP12NR1I2SCN9A
SCHEMBL878127 0.82 PRKCA (0.46) PRKCAMMP12NR1I2SCN9A
SCHEMBL895175 0.81 PRKCA (0.57) PRKCAMMP12NR1I2SCN9A
SCHEMBL4822919 0.81 PRKCA (0.51) PRKCAMMP12NR1I2SCN9A
SCHEMBL4826803 0.81 PRKCA (0.51) PRKCAMMP12NR1I2SCN9AOGFRL1
SCHEMBL895643 0.80 PRKCA (0.56) PRKCAMMP12NR1I2SCN9A
SCHEMBL895284 0.80 PRKCA (0.56) PRKCAMMP12NR1I2SCN9A

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20100029666-A1 Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-02-04 US disclosed
US-20100022468-A1 NUCLEOSIDE CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
EP-1924593-B1 HCV NS3 PROTEASE INHIBITORS MERCK & CO INC (US) 2009-09-16 EP disclosed
EP-2083844-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-08-05 EP 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-2008127613-A1 NEW PHARMACEUTICAL COMPOSITIONS SCYNEXIS, INC. (US) 2008-10-23 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
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 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 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-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885NR1I2 643/4885
US-20090075869-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC PRKCA 2980/4885MMP12 773/4885NR1I2 613/4885
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-20100029666-A1 Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors KEAP1, CTSC, SPINT2 PRKCA 3996/4885MMP12 1075/4885NR1I2 652/4885
US-20100022468-A1 NUCLEOSIDE CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION RNGTT, NSUN2, RNASE1 PRKCA 1836/4885MMP12 3665/4885NR1I2 1833/4885

“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.