SCHEMBL895934

SCHEMBL895934

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCN1CCOCC1)Cc1ccccc1-3

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.49
MMP12 P39900 1/20 0.49
NR1I2 O75469 1/20 0.46
SCN9A Q15858 3/20 0.41
CNR2 P34972 4/20 0.38
CNR1 P21554 2/20 0.38
PTGER4 P35408 1/20 0.37
EPHX2 P34913 1/20 0.36
CASR P41180 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL3090937 0.90 NR1I2 (0.47) PRKCAMMP12NR1I2SCN9ACNR2
SCHEMBL895847 0.88 PRKCA (0.46) PRKCAMMP12NR1I2SCN9ACNR2
SCHEMBL4145806 0.88 PRKCA (0.38) PRKCAMMP12NR1I2CNR2CNR1
SCHEMBL4145802 0.88 PRKCA (0.38) PRKCAMMP12NR1I2CNR2CNR1
SCHEMBL896350 0.87 PRKCA (0.58) PRKCAMMP12NR1I2SCN9ACNR2
Hydrochloric Acid SCHEMBL3085990 0.86 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACNR2
SCHEMBL12427569 0.86 PRKCA (0.49) PRKCAMMP12NR1I2SCN9ACNR2
SCHEMBL896122 0.86 PRKCA (0.57) PRKCAMMP12NR1I2SCN9APTGER4
SCHEMBL3085838 0.85 PRKCA (0.51) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL10283562 0.84 PRKCA (0.47) PRKCAMMP12NR1I2SCN9ACNR2

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 115 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
EP-1910404-A1 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-04-16 EP disclosed
EP-1879607-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-01-23 EP disclosed
WO-2007095269-A2 NUCLEOSIDE ARYL PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION MERCK & CO., INC. (US) 2007-08-23 WO disclosed
WO-2007021610-A2 RIBONUCLEOSIDE CYCLIC ACETAL DERIVATIVES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION MERCK & CO., INC. (US) 2007-02-22 WO disclosed
WO-2007022073-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES MERCK & CO., INC. (US) 2007-02-22 WO disclosed
WO-2007015855-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007016441-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 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 (6 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-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.