SCHEMBL4397575

SCHEMBL4397575

Nc1ncnc2cc(CN3CCN(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3=O)ccc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.62
RPS6KB1 P23443 1/20 0.38
COMT P21964 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
FNTA P49354 1/20 0.35
PGGT1B P53609 1/20 0.35
ADRB2 P07550 1/20 0.35
FPR1 P21462 1/20 0.35
GPR183 P32249 1/20 0.35
APLNR P35414 1/20 0.35
GLP1R P43220 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
GPR35 Q9HC97 1/20 0.35
HSP90AB1 P08238 1/20 0.35
APP P05067 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL1652172 0.90 F10 (0.73) F10APPHRH3
SCHEMBL4399422 0.83 F10 (0.78) F10RPS6KB1KCNH2
SCHEMBL4391128 0.83 F10 (0.67) F10HSP90AB1
SCHEMBL1651554 0.82 F10 (0.72) F10APPHRH3
SCHEMBL1652606 0.82 F10 (0.69) F10FNTAPGGT1BAPPHRH3
SCHEMBL1654307 0.82 F10 (0.77) F10APPHRH3
SCHEMBL4387460 0.81 F10 (0.65) F10HSP90AB1
SCHEMBL1654324 0.80 F10 (0.64) F10HSP90AB1APPHRH3
SCHEMBL1652475 0.80 F10 (0.72) F10APPHRH3
SCHEMBL1652785 0.80 F10 (0.69) F10APPHRH3

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-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
CN-1291892-A Substituted oxoazaheterocyclyl factor Xa inhibitors AWENTIS PHARMACEUTICAL INC (US) 2001-04-18 CN 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 12/4885RPS6KB1 1802/4885COMT 2123/4885

“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.