SCHEMBL895098

SCHEMBL895098

CCN(CC)[C@@H](C(=O)N1CCC[C@H]1c1nnc(-c2ccc(-c3cc4cc([N+]5(C(=O)[C@@H](c6ccccc6)N(CC)CC)CCC[C@H]5C(N)=O)ccc4[nH]3)cc2)o1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
HCRTR1 O43613 11/20 0.35
HCRTR2 O43614 11/20 0.35
DPP4 P27487 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
HSD11B1 P28845 1/20 0.31
TSPO P30536 1/20 0.30
OPRK1 P41145 1/20 0.30
HTR2B P41595 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
PRCP P42785 1/20 0.30

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
SCHEMBL22352332 0.80 KCNH2 (0.46) KCNH2HCRTR1HCRTR2
SCHEMBL895096 0.80 KCNH2 (0.46) KCNH2HCRTR1HCRTR2
SCHEMBL24731079 0.80 KCNH2 (0.46) KCNH2HCRTR1HCRTR2
SCHEMBL20952286 0.80 KCNH2 (0.47) KCNH2HCRTR1HCRTR2
SCHEMBL30065501 0.80 KCNH2 (0.47) KCNH2HCRTR1HCRTR2
SCHEMBL474879 0.80 KCNH2 (0.47) KCNH2HCRTR1HCRTR2
SCHEMBL894763 0.80 KCNH2 (0.47) KCNH2HCRTR1HCRTR2OPRK1PRCP
SCHEMBL16290983 0.80 KCNH2 (0.47) KCNH2HCRTR1HCRTR2OPRK1PRCP
SCHEMBL16291111 0.80 KCNH2 (0.47) KCNH2HCRTR1HCRTR2OPRK1PRCP
SCHEMBL894838 0.80 KCNH2 (0.47) KCNH2HCRTR1HCRTR2OPRK1PRCP

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 9 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-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-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.