SCHEMBL1652608

SCHEMBL1652608

Nc1ccnc2cc(CN3CCN(C(=O)/C=C/c4ccc(Cl)s4)CC3=O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.40
KCNH2 Q12809 1/20 0.35
ENPP2 Q13822 1/20 0.35
DPP4 P27487 2/20 0.34
GRM2 Q14416 2/20 0.33
CCR5 P51681 1/20 0.33
P2RX7 Q99572 1/20 0.33
NR4A2 P43354 1/20 0.33
SOS2 Q07890 1/20 0.33

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
SCHEMBL1652609 1.00 F10 (0.40) F10KCNH2ENPP2DPP4GRM2
SCHEMBL1652496 0.88 F10 (0.53) F10KCNH2ENPP2DPP4GRM2
SCHEMBL4385765 0.88 F10 (0.53) F10KCNH2ENPP2DPP4GRM2
SCHEMBL4393395 0.85 F10 (0.34) F10ENPP2NR4A2SOS2
SCHEMBL1652455 0.85 F10 (0.34) F10ENPP2NR4A2SOS2
SCHEMBL4393391 0.85 F10 (0.34) F10ENPP2NR4A2SOS2
SCHEMBL1651548 0.85 F10 (0.41) F10KCNH2ENPP2DPP4GRM2
SCHEMBL1651551 0.85 F10 (0.41) F10KCNH2ENPP2DPP4GRM2
SCHEMBL1651639 0.83 F10 (0.55) F10
SCHEMBL1651637 0.83 F10 (0.55) 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 11 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
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP 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 F10 12/4885KCNH2 709/4885ENPP2 124/4885

“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.