SCHEMBL4387484

SCHEMBL4387484

O=C1CN(C(=O)OCc2ccccc2)CCN1Cc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.47
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PARP1 P09874 2/20 0.42
PARP2 Q9UGN5 2/20 0.42
ENPP2 Q13822 2/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRIN2B Q13224 1/20 0.40
ATXN2 Q99700 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
USP19 O94966 1/20 0.38

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
SCHEMBL3902852 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4391097 0.80 NPC1 (0.41) KDRSMN1; SMN2NPC1RAB9APARP1
SCHEMBL4397191 0.80 DHFR (0.43) KDRSMN1; SMN2NPC1RAB9APARP1
SCHEMBL1208730 0.78 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4392688 0.78 NPC1 (0.39) KDRSMN1; SMN2NPC1RAB9APARP1
SCHEMBL6411056 0.78 FAAH (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4359832 0.77 KDM1A (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29010221 0.76 CYP46A1 (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8161012 0.76 FAAH (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4392312 0.76 FNTA (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 KDR 3065/4885PDE3B 300/4885PDE3A 367/4885

“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.