SCHEMBL4387155

SCHEMBL4387155

COc1ccc(CN2C[C@@H](C)N(C(=O)OCc3ccccc3)[C@@H](C)C2=O)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.53
CACNA1H O95180 3/20 0.53
CACNA1I Q9P0X4 3/20 0.53
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR2C P28335 1/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BTK Q06187 1/20 0.42
PRNP P04156 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL27530722 1.00 CACNA1G (0.53) CACNA1GCACNA1HCACNA1IALDH1A1KDM4E
SCHEMBL10874151 0.79 CA1 (0.51) ALDH1A1KDM4EGAATDP1MEN1
SCHEMBL13435786 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EGAATDP1TP53
SCHEMBL2304816 0.75 MEN1 (0.46) ALDH1A1KDM4EGAATDP1MEN1
SCHEMBL8507826 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EGAATDP1TP53
SCHEMBL8331015 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EGAATDP1MEN1
SCHEMBL3488059 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EGAATDP1MEN1
SCHEMBL31578920 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EGAATDP1MEN1
SCHEMBL4399779 0.73 CACNA1G (0.54) CACNA1GCACNA1HCACNA1IALDH1A1GAA
SCHEMBL4399774 0.73 CACNA1G (0.54) CACNA1GCACNA1HCACNA1IALDH1A1GAA

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 7 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-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.