SCHEMBL10223745

SCHEMBL10223745

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc2oc(-c3ccc(NC(=O)[C@@H]4CCCN4)cc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.53
▸ SCN3A Q9NY46 1/20 0.53
▸ SCN5A Q14524 1/20 0.53
▸ NPC1 O15118 4/20 0.51
▸ JAK2 O60674 3/20 0.49
▸ CETP P11597 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ JAK3 P52333 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ USP30 Q70CQ3 2/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL10222657 0.92 NPC1 (0.60) NPC1JAK2CETPMEN1KMT2A
SCHEMBL24732218 0.92 NPC1 (0.60) NPC1JAK2CETPMEN1KMT2A
SCHEMBL10222766 0.83 ALDH1A1 (0.58) SCN9ASCN3ANPC1CETPMEN1
SCHEMBL844873 0.80 NPC1 (0.63) SCN9ASCN3ASCN5ANPC1JAK2
SCHEMBL10223633 0.79 NPC1 (0.62) NPC1JAK2MEN1KMT2AL3MBTL1
SCHEMBL2245336 0.78 MAPT (0.60) NPC1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2245331 0.78 MAPT (0.60) NPC1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14827625 0.78 NPC1 (0.69) NPC1JAK2MEN1KMT2AL3MBTL1
SCHEMBL12489106 0.76 NPC1 (0.63) NPC1JAK2MEN1KMT2AL3MBTL1
SCHEMBL17474759 0.76 NPC1 (0.80) NPC1JAK2MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SCN9A 4479/4885SCN3A 4477/4885SCN5A 4374/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SCN9A 4479/4885SCN3A 4477/4885SCN5A 4374/4885

“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.

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