SCHEMBL1653156

SCHEMBL1653156

Nc1ncnc2cc(CN3CCN(CC#Cc4ccccc4Cl)CC3=O)ccc12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.59
PDPK1 O15530 1/20 0.35
APP P05067 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32
DGAT1 O75907 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
MCHR1 Q99705 1/20 0.31

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
SCHEMBL1654335 0.88 F10 (0.57) F10APPHRH3
SCHEMBL1652752 0.86 F10 (0.59) F10PDPK1DGAT1
SCHEMBL1654396 0.86 F10 (0.63) F10PDPK1
SCHEMBL1652487 0.85 F10 (0.60) F10
SCHEMBL1651618 0.84 F10 (0.59) F10APPHRH3
SCHEMBL1652556 0.84 F10 (0.59) F10PDPK1APPHRH3DGAT1
SCHEMBL1654324 0.83 F10 (0.64) F10APPHRH3
SCHEMBL1654622 0.83 F10 (0.57) F10APPHRH3
SCHEMBL1652453 0.82 F10 (0.63) F10
SCHEMBL1652925 0.82 F10 (0.60) F10

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
JP-4676613-B2 2011-04-27 JP claimed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US claimed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP claimed
JP-2002501024-A 2002-01-15 JP claimed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP claimed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO 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
CN-1291892-A Substituted oxoazaheterocyclyl factor Xa inhibitors AWENTIS PHARMACEUTICAL INC (US) 2001-04-18 CN 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 F10 12/4885PDPK1 2933/4885APP 2765/4885

“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.