SCHEMBL4397193

SCHEMBL4397193

NCC(=O)N1CCN(Cc2ccc3c(N)ncnc3c2)C(=O)C1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.56
DPP4 P27487 7/20 0.40
CYP3A4 P08684 1/20 0.37

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
SCHEMBL4392721 0.92 F10 (0.57) F10DPP4
SCHEMBL4392716 0.90 F10 (0.54) F10DPP4
SCHEMBL4392437 0.89 F10 (0.58) F10DPP4
SCHEMBL4397184 0.88 F10 (0.56) F10DPP4
SCHEMBL4397645 0.85 F10 (0.54) F10DPP4
SCHEMBL4397647 0.85 F10 (0.54) F10DPP4CYP3A4
SCHEMBL27572570 0.85 F10 (0.52) F10DPP4
SCHEMBL1653196 0.84 F10 (0.55) F10CYP3A4
SCHEMBL1651375 0.83 F10 (0.54) F10DPP4
SCHEMBL1386021 0.83 F10 (0.57) 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 3 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

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 12/4885DPP4 3457/4885CYP3A4 347/4885

“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.