SCHEMBL4388222

SCHEMBL4388222

CN(CCN1CCN(C(=O)OC(C)(C)C)CC1=O)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.41
PDE10A Q9Y233 1/20 0.41
MAPK1 P28482 1/20 0.38
NR1H2 P55055 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
POLB P06746 1/20 0.36
DTYMK P23919 1/20 0.36
ESR2 Q92731 1/20 0.36
PIK3CD O00329 1/20 0.36
GRM1 Q13255 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4012571 0.81 NR1H2 (0.39) GPR119MAPK1NR1H2DTYMKESR2
SCHEMBL4390417 0.80 KEAP1 (0.43) GPR119MAPK1NR1H2MAPT
SCHEMBL27554546 0.76 GPR119 (0.40) GPR119PDE10A
SCHEMBL4005175 0.75 NR1H2 (0.41) MAPK1NR1H2DTYMKESR2ALDH1A1
SCHEMBL1583253 0.75 P2RX7 (0.46) MAPK1NR1H2DTYMKESR2ALDH1A1
SCHEMBL28437919 0.74 NR1H2 (0.43) GPR119MAPK1NR1H2ALDH1A1MAPT
SCHEMBL24744821 0.74 NR1H2 (0.40) MAPK1NR1H2POLBDTYMKESR2
SCHEMBL4390630 0.74 NR1H2 (0.41) MAPK1NR1H2DTYMKESR2ALDH1A1
SCHEMBL1176507 0.74 NR1H2 (0.40) MAPK1NR1H2DTYMKESR2ALDH1A1
SCHEMBL1583151 0.73 ROCK2 (0.47) GPR119MAPK1NR1H2POLBESR2

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
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 GPR119 3346/4885PDE10A 1068/4885MAPK1 4046/4885

“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.