SCHEMBL474879

SCHEMBL474879

CCN(CC)[C@@H](C(=O)N1CCC[C@H]1c1nnc(-c2ccc3[nH]c(-c4ccc(NC(C)=O)cc4)cc3c2)o1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
HCRTR1 O43613 7/20 0.37
HCRTR2 O43614 7/20 0.37
MMP13 P45452 1/20 0.36
SLC2A1 P11166 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CPT1A P50416 4/20 0.35
CPT2 P23786 2/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
EGFR P00533 1/20 0.34
USP30 Q70CQ3 1/20 0.33
NAMPT P43490 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
SCHEMBL20952286 1.00 KCNH2 (0.47) KCNH2HCRTR1HCRTR2MMP13SLC2A1
SCHEMBL30065501 1.00 KCNH2 (0.47) KCNH2HCRTR1HCRTR2MMP13SLC2A1
SCHEMBL894772 0.91 KCNH2 (0.39) KCNH2HCRTR1HCRTR2MMP13SLC2A1
SCHEMBL24731079 0.89 KCNH2 (0.46) KCNH2HCRTR1HCRTR2SLC2A1MAPT
SCHEMBL895096 0.89 KCNH2 (0.46) KCNH2HCRTR1HCRTR2SLC2A1MAPT
SCHEMBL22352332 0.89 KCNH2 (0.46) KCNH2HCRTR1HCRTR2SLC2A1MAPT
SCHEMBL16188339 0.87 KCNH2 (0.41) KCNH2HCRTR1HCRTR2MMP13SLC2A1
SCHEMBL20952517 0.85 KCNH2 (0.43) KCNH2HCRTR1HCRTR2SLC2A1TP53
SCHEMBL10173660 0.85 KCNH2 (0.43) KCNH2HCRTR1HCRTR2SLC2A1TP53
SCHEMBL17045004 0.84 CPT1A (0.42) HCRTR1HCRTR2MMP13SLC2A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US claimed
EP-2410844-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION Merck Sharp & Dohme Corp. (US) 2012-02-01 EP claimed
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
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-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
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885HCRTR1 4044/4885HCRTR2 4504/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885HCRTR1 4044/4885HCRTR2 4504/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885HCRTR1 4044/4885HCRTR2 4504/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885HCRTR1 4044/4885HCRTR2 4504/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885HCRTR1 4044/4885HCRTR2 4504/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885HCRTR1 4044/4885HCRTR2 4504/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885HCRTR1 4044/4885HCRTR2 4504/4885

“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.