Sugi Predict

Sugi Predict / Compounds / SCHEMBL474732

SCHEMBL474732

SCHEMBL474732

CN(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]c(-c3ccc(NC(=O)C4CCCC4)cc3)cc2c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.48
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ SLC2A1 P11166 1/20 0.43
▸ CYP2C9 P11712 6/20 0.43
▸ CYP2C19 P33261 6/20 0.43
▸ CYP3A4 P08684 5/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ ITK Q08881 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HCRTR1 O43613 2/20 0.41
▸ HCRTR2 O43614 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 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
SCHEMBL28947735 1.00 KCNH2 (0.48) KCNH2MAOAMAOBSLC2A1CYP2C9
SCHEMBL474772 0.93 KCNH2 (0.49) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL27966125 0.93 KCNH2 (0.49) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL30065583 0.93 KCNH2 (0.49) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL16291042 0.90 KCNH2 (0.56) KCNH2SLC2A1CYP2C9CYP2C19CYP3A4
SCHEMBL20952269 0.90 KCNH2 (0.46) KCNH2SLC2A1CYP2C9CYP2C19CYP3A4
SCHEMBL16291015 0.90 KCNH2 (0.56) KCNH2SLC2A1CYP2C9CYP2C19CYP3A4
SCHEMBL20952287 0.90 KCNH2 (0.56) KCNH2SLC2A1CYP2C9CYP2C19CYP3A4
SCHEMBL16291016 0.90 KCNH2 (0.56) KCNH2SLC2A1CYP2C9CYP2C19CYP3A4
SCHEMBL895411 0.90 KCNH2 (0.46) KCNH2SLC2A1CYP2C9CYP2C19CYP3A4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103880862-A Inhibitors Of Hepatitis C Virus Replication MERCK SHARP & DOHME 2014-06-25 — — CN claimed
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
WO-2010111483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2010-09-30 — — WO 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-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — 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 (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 4621/4885MAOA 3157/4885MAOB 2811/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885MAOA 3157/4885MAOB 2811/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885MAOA 3157/4885MAOB 2811/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885MAOA 3157/4885MAOB 2811/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885MAOA 3157/4885MAOB 2811/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885MAOA 3157/4885MAOB 2811/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885MAOA 3157/4885MAOB 2811/4885

“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.