SCHEMBL4543009

SCHEMBL4543009

CC1CN(Cc2ccc3c(Cl)ccnc3c2)C(=O)C(C)N1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 14/20 0.54
CACNA1G O43497 13/20 0.54
CACNA1H O95180 12/20 0.54
HTR2C P28335 1/20 0.41
SMYD3 Q9H7B4 1/20 0.38
CYP3A4 P08684 1/20 0.36
SCD O00767 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL4392712 1.00 CACNA1I (0.54) CACNA1ICACNA1GCACNA1HHTR2CSMYD3
SCHEMBL4387948 0.85 SMYD3 (0.40) CACNA1ICACNA1GCACNA1HSMYD3
SCHEMBL4387946 0.85 SMYD3 (0.40) CACNA1ICACNA1GCACNA1HSMYD3
SCHEMBL4388104 0.85 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HHTR2C
SCHEMBL4388098 0.85 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HHTR2C
SCHEMBL4390575 0.77 SMYD3 (0.46) SMYD3
SCHEMBL27572919 0.75 MET (0.31) SMYD3
SCHEMBL27573026 0.75 SMYD3 (0.39) SMYD3SCD
SCHEMBL4399779 0.75 CACNA1G (0.54) CACNA1ICACNA1GCACNA1HHTR2C
SCHEMBL4399774 0.75 CACNA1G (0.54) CACNA1ICACNA1GCACNA1HHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US claimed
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
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 CACNA1I 3031/4885CACNA1G 3668/4885CACNA1H 3316/4885

“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.