SCHEMBL4399779

SCHEMBL4399779

C[C@H]1CN(Cc2ccc(C#N)c(N)c2)C(=O)[C@H](C)N1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 7/20 0.54
CACNA1H O95180 7/20 0.54
CACNA1I Q9P0X4 7/20 0.54
HTR2C P28335 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM2 P08172 3/20 0.36
CHRM1 P11229 2/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 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
SCHEMBL4399774 1.00 CACNA1G (0.54) CACNA1GCACNA1HCACNA1IHTR2CL3MBTL1
SCHEMBL7375950 0.84 CACNA1G (0.49) CACNA1GCACNA1HCACNA1IHTR2CL3MBTL1
SCHEMBL4388052 0.84 CACNA1G (0.49) CACNA1GCACNA1HCACNA1IHTR2CL3MBTL1
SCHEMBL4388057 0.84 CACNA1G (0.49) CACNA1GCACNA1HCACNA1IHTR2CL3MBTL1
SCHEMBL4388104 0.78 CACNA1I (0.52) CACNA1GCACNA1HCACNA1IHTR2C
SCHEMBL4388098 0.78 CACNA1I (0.52) CACNA1GCACNA1HCACNA1IHTR2C
SCHEMBL4393684 0.76 ALDH1A1 (0.49) HTR2CPTGDR2MEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL4393681 0.75 ALDH1A1 (0.48) HTR2CPTGDR2MEN1ALDH1A1GAA
SCHEMBL4543009 0.75 CACNA1I (0.54) CACNA1GCACNA1HCACNA1IHTR2C
SCHEMBL4392712 0.75 CACNA1I (0.54) CACNA1GCACNA1HCACNA1IHTR2C

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 CACNA1G 3668/4885CACNA1H 3316/4885CACNA1I 3031/4885

“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.