SCHEMBL896122

SCHEMBL896122

CN(C)CCN1CCn2c(c(C3CCCC3)c3ccc(C(=O)O)cc32)-c2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.57
MMP12 P39900 1/20 0.57
NR1I2 O75469 2/20 0.41
SCN9A Q15858 1/20 0.37
CSNK2A1 P68400 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
PTGER4 P35408 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL896350 0.99 PRKCA (0.58) PRKCAMMP12NR1I2SCN9ACSNK2A1
Hydrochloric Acid SCHEMBL3085990 0.98 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACSNK2A1
SCHEMBL3087256 0.90 PRKCA (0.48) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3088482 0.88 PRKCA (0.50) PRKCAMMP12NR1I2SCN9ACSNK2A1
SCHEMBL3086143 0.88 PRKCA (0.50) PRKCAMMP12NR1I2SCN9ACSNK2A1
SCHEMBL3095848 0.87 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACSNK2A1
SCHEMBL3587050 0.87 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACSNK2A1
SCHEMBL895975 0.87 PRKCA (0.49) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL895934 0.86 PRKCA (0.49) PRKCAMMP12NR1I2SCN9APTGER4
SCHEMBL895292 0.86 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 88 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-2083844-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
EP-2079480-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-07-22 EP 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-2008057208-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
WO-2008051514-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
EP-1915054-A2 RIBONUCLEOSIDE CYCLIC ACETAL DERIVATIVES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION Merck & Co., Inc. (US) 2008-04-30 EP 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
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 (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-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-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885NR1I2 643/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 PRKCA 559/4885MMP12 3480/4885NR1I2 1191/4885

“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.