SCHEMBL895411

SCHEMBL895411

CN(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]c(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccccc4)cc3)cc2c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
CYP3A4 P08684 5/20 0.43
CYP2C9 P11712 5/20 0.43
CYP2C19 P33261 5/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 3/20 0.41
ITGB1 P05556 4/20 0.40
ITGA4 P13612 4/20 0.40
SLC2A1 P11166 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL20952269 1.00 KCNH2 (0.46) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL20966424 0.93 KCNH2 (0.45) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL895347 0.92 KCNH2 (0.46) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL895349 0.92 KCNH2 (0.46) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL30065583 0.91 KCNH2 (0.49) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL474772 0.91 KCNH2 (0.49) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL27966125 0.91 KCNH2 (0.49) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL894897 0.91 KCNH2 (0.45) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL28947735 0.90 KCNH2 (0.48) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL474732 0.90 KCNH2 (0.48) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9

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 12 patents. 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
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-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-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 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-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 (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-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-20150246917-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

“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.