SCHEMBL4387946

SCHEMBL4387946

CC1C(=O)N(Cc2ccc3c(Cl)ccnc3c2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.40
CACNA1G O43497 2/20 0.40
CACNA1H O95180 2/20 0.40
CACNA1I Q9P0X4 2/20 0.40
MET P08581 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 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
SCHEMBL4387948 1.00 SMYD3 (0.40) SMYD3CACNA1GCACNA1HCACNA1IMET
SCHEMBL4543009 0.85 CACNA1I (0.54) SMYD3CACNA1GCACNA1HCACNA1I
SCHEMBL4392712 0.85 CACNA1I (0.54) SMYD3CACNA1GCACNA1HCACNA1I
SCHEMBL4390575 0.83 SMYD3 (0.46) SMYD3
SCHEMBL27573026 0.82 SMYD3 (0.39) SMYD3ADRA1DADRA1AADRA1B
SCHEMBL4387325 0.75 SMYD3 (0.33) SMYD3
SCHEMBL27530303 0.75 SMYD3 (0.33) SMYD3
SCHEMBL27579299 0.74 SMYD3 (0.44) SMYD3
SCHEMBL4397105 0.73 F10 (0.44) ADRA1DADRA1AADRA1B
SCHEMBL27591191 0.73 KIT (0.41) CACNA1GCACNA1HCACNA1IMET

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 5 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-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

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 SMYD3 4406/4885CACNA1G 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.