SCHEMBL4397185

SCHEMBL4397185

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.48
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
HTR2C P28335 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 3/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
PREP P48147 1/20 0.40
PKM P14618 1/20 0.40
CTRB1 P17538 1/20 0.40

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
Hydrochloric Acid SCHEMBL7278202 0.82 GLA (0.52) GLANPC1RAB9AHTR2CL3MBTL1
SCHEMBL4391983 0.78 NPC1 (0.47) NPC1RAB9AHTR2CL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL7278209 0.77 NPC1 (0.46) GLANPC1RAB9AHTR2CL3MBTL1
SCHEMBL2420322 0.75 SMN1; SMN2 (0.50) NPC1RAB9AHTR2CSMN1; SMN2CYP2C19
SCHEMBL31535554 0.75 SMN1; SMN2 (0.50) NPC1RAB9AHTR2CSMN1; SMN2CYP2C19
SCHEMBL11860696 0.74 GAA (0.63) GLANPC1RAB9AHTR2CL3MBTL1
SCHEMBL16489792 0.73 NPC1 (0.47) NPC1RAB9AHTR2CL3MBTL1SMN1; SMN2
SCHEMBL22184382 0.73 HTR2C (0.54) GLANPC1RAB9AHTR2CL3MBTL1
SCHEMBL4064196 0.72 KMT2A (0.53) GLAHTR2CKMT2APREP
SCHEMBL16424613 0.72 NPC1 (0.46) NPC1RAB9AHTR2CL3MBTL1SMN1; SMN2

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 9 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-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 (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 GLA 174/4885NPC1 2223/4885RAB9A 1986/4885

“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.