SCHEMBL10037264

SCHEMBL10037264

CC(C)(C)OC(=O)N1CCC[C@H]1C(=N)N

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ UCHL1 P09936 2/20 0.46
▸ SCN4A P35499 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ SCN5A Q14524 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL31638601 1.00 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL28007737 0.95 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL22092376 0.90 HSD17B10 (0.46) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL239130 0.87 HSD17B10 (0.59) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL2225858 0.87 HSD17B10 (0.59) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL240483 0.87 HSD17B10 (0.59) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL17122600 0.84 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1118385 0.84 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL30937514 0.84 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL2636790 0.84 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402931-A1 TETRACYCLIC COMPOUNDS AND METHODS FOR THE TREATMENT OF ZIKA VIRUS INFECTION GILEAD SCIENCES, INC. 2022-12-22 — — US disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 — — EP disclosed
WO-2017076201-A1 HCV INHIBITORS, PREPARATION METHOD AND USE THEREOF 江苏豪森药业集团有限公司 2017-05-11 — — WO disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 — — US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 — — US disclosed
WO-2014057435-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO )ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-04-17 — — WO disclosed
US-8147818-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 — — US disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 — — US disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 — — US disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 — — WO disclosed
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 — — WO 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 (3 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-20220402931-A1 TETRACYCLIC COMPOUNDS AND METHODS FOR THE TREATMENT OF ZIKA VIRUS INFECTION ZC3HAV1, ZC3HAV1L, EIF2AK2 HSD17B10 2405/4885SMN1; SMN2 115/4885NPC1 72/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR HSD17B10 778/4885SMN1; SMN2 2096/4885NPC1 1248/4885
US-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL HSD17B10 2891/4885SMN1; SMN2 4117/4885NPC1 102/4885

“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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