SCHEMBL4391983

SCHEMBL4391983

COC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PREP P48147 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44
ACE2 Q9BYF1 1/20 0.43
HTR2C P28335 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 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
SCHEMBL8466542 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2PREPL3MBTL1
SCHEMBL22981228 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2PREPL3MBTL1
SCHEMBL29707055 0.80 NPC1 (0.54) NPC1RAB9ASMN1; SMN2PREPL3MBTL1
SCHEMBL791439 0.79 PREP (0.57) PREPL3MBTL1NPSR1ACE2
SCHEMBL13994810 0.79 PREP (0.57) PREPL3MBTL1NPSR1ACE2
SCHEMBL4397185 0.78 GLA (0.48) NPC1RAB9ASMN1; SMN2PREPL3MBTL1
SCHEMBL1844700 0.78 HSD11B1 (0.48) SMN1; SMN2NPSR1
SCHEMBL1928782 0.77 NPC1 (0.48) NPC1RAB9ASMN1; SMN2PREPL3MBTL1
SCHEMBL16489792 0.76 NPC1 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1CYP2C19
SCHEMBL16424613 0.75 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (1 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 NPC1 2223/4885RAB9A 1986/4885SMN1; SMN2 4142/4885

“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.