SCHEMBL4392704

SCHEMBL4392704

O=C1NCCN(C(=O)OCc2ccccc2)C1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.58
PSEN2 P49810 2/20 0.58
APH1B Q8WW43 2/20 0.58
NCSTN Q92542 2/20 0.58
APH1A Q96BI3 2/20 0.58
PSENEN Q9NZ42 2/20 0.58
KMT2A Q03164 1/20 0.56
GLA P06280 1/20 0.51
PARP1 P09874 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
HTR2C P28335 1/20 0.45
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL30841367 0.93 KMT2A (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30841370 0.89 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28899278 0.89 KMT2A (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4387733 0.89 KMT2A (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12189896 0.89 KMT2A (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30841387 0.88 KMT2A (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4389072 0.87 KMT2A (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4064196 0.87 KMT2A (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4064197 0.87 KMT2A (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30841386 0.86 SMN1; SMN2 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4534897-A Piperazinone, piperazine, 1,4-diazepin-2-one and 1,4-diazepine intermediate compounds THE UPJOHN COMPANY (US) 1985-08-13 US claimed
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 (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 PSEN1 3565/4885PSEN2 2122/4885APH1B 703/4885

“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.