SCHEMBL1398934

SCHEMBL1398934

CC(C)(C)OC(=O)N1CC[C@H]1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
NR1H2 P55055 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP2 O75604 1/20 0.40
UCHL1 P09936 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL29755212 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1NR1H2CHRM2
SCHEMBL5069216 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1NR1H2CHRM2
SCHEMBL2225858 0.90 HSD17B10 (0.59) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL239130 0.90 HSD17B10 (0.59) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL240483 0.90 HSD17B10 (0.59) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL82116 0.88 HSD17B10 (0.55) HSD17B10SMN1; SMN2NPC1HPGDLMNA
SCHEMBL1478166 0.88 HSD17B10 (0.55) HSD17B10SMN1; SMN2NPC1HPGDLMNA
SCHEMBL1478184 0.88 HSD17B10 (0.55) HSD17B10SMN1; SMN2NPC1HPGDLMNA
SCHEMBL23458190 0.86 HSD17B10 (0.46) HSD17B10SMN1; SMN2NPC1NR1H2CHRM2
SCHEMBL22092376 0.86 HSD17B10 (0.46) HSD17B10SMN1; SMN2NPC1NR1H2CHRM2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022156792-A1 HETEROCYCLIC COMPOUNDS AS SOS1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-07-28 WO disclosed
US-9403813-B2 Azetidine amide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-02 US disclosed
US-9403813-B2 Azetidine amide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-02 US disclosed
US-9403813-B2 Azetidine amide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-02 US disclosed
US-20160024064-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-01-28 US disclosed
US-20160024064-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-01-28 US disclosed
US-20160024064-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-01-28 US disclosed
EP-2970241-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2016-01-20 EP disclosed
WO-2014141065-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-09-18 WO disclosed
WO-2014141065-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-09-18 WO disclosed
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US disclosed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US disclosed
CN-101506199-A Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-08-12 CN disclosed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO disclosed
WO-2007023382-A2 PYRIMIDINE AMINO PYRAZOLE COMPOUNDS, POTENT KINASE INHIBITORS PFIZER INC. (US) 2007-03-01 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 (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-20160024064-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R HSD17B10 3263/4885SMN1; SMN2 1943/4885NPC1 588/4885
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HSD17B10 4066/4885SMN1; SMN2 2584/4885NPC1 674/4885

“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.