SCHEMBL4389665

SCHEMBL4389665

CC(C)C1C(=O)NCCN1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
GLA P06280 1/20 0.49
AOC3 Q16853 2/20 0.48
PREP P48147 2/20 0.47
HTR2C P28335 1/20 0.46
ACE2 Q9BYF1 2/20 0.46
PARP1 P09874 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSK P43235 1/20 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
SCHEMBL15289830 1.00 KMT2A (0.49) KMT2AGLAAOC3PREPHTR2C
SCHEMBL4387829 0.91 KMT2A (0.48) KMT2AGLAAOC3PREPHTR2C
SCHEMBL28878075 0.84 HTR2C (0.52) KMT2AGLAPREPHTR2CPARP1
SCHEMBL4397489 0.84 HTR2C (0.52) KMT2AGLAPREPHTR2CPARP1
SCHEMBL4389163 0.84 HTR2C (0.52) KMT2AGLAPREPHTR2CPARP1
SCHEMBL4388124 0.84 KMT2A (0.53) KMT2AGLAPREPHTR2CACE2
SCHEMBL27530724 0.83 GLA (0.51) KMT2AGLAPREPHTR2CPARP1
SCHEMBL2391599 0.83 AOC3 (0.52) AOC3PREPHTR2CACE2PARP1
SCHEMBL4387733 0.82 KMT2A (0.55) KMT2AGLAPREPHTR2CPARP1
SCHEMBL12189896 0.82 KMT2A (0.55) KMT2AGLAPREPHTR2CPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200138812-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS LLC (US) 2020-05-07 US disclosed
US-20180133220-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, LLC 2018-05-17 US disclosed
US-20180133220-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, LLC 2018-05-17 US disclosed
US-20180117041-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, INC. 2018-05-03 US disclosed
US-9814715-B2 Liver X receptor modulators VITAE PHARAMCEUTICALS, INC. (US) 2017-11-14 US disclosed
US-9814715-B2 Liver X receptor modulators VITAE PHARAMCEUTICALS, INC. (US) 2017-11-14 US disclosed
US-20170231992-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, INC. 2017-08-17 US disclosed
US-20170231992-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, INC. 2017-08-17 US disclosed
US-9707232-B2 Liver X receptor modulators VITAE PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-9707232-B2 Liver X receptor modulators VITAE PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
EP-1051176-B1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMA INC (US) 2006-11-22 EP disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
CN-1291892-A Substituted oxoazaheterocyclyl factor Xa inhibitors AWENTIS PHARMACEUTICAL INC (US) 2001-04-18 CN disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 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 (5 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-20180117041-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 KMT2A 3622/4885GLA 1734/4885AOC3 2158/4885
US-20170231992-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS TNNI3, FABP3, TNNT2 KMT2A 4716/4885GLA 239/4885AOC3 1935/4885
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 KMT2A 2513/4885GLA 174/4885AOC3 49/4885
US-20200138812-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 KMT2A 3622/4885GLA 1734/4885AOC3 2158/4885
US-20180133220-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS TNNI3, FABP3, TNNT2 KMT2A 4716/4885GLA 239/4885AOC3 1935/4885

“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.