SCHEMBL4396127

SCHEMBL4396127

CCCCC1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.45
CCR5 P51681 1/20 0.35
DGAT1 O75907 1/20 0.33
HSP90AB1 P08238 1/20 0.33
GRM2 Q14416 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
ERBB4 Q15303 1/20 0.32
PDGFRB P09619 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
SCHEMBL4396129 1.00 F10 (0.45) F10CCR5DGAT1HSP90AB1GRM2
SCHEMBL4388083 0.94 F10 (0.46) F10DGAT1HSP90AB1GRM2EGFR
SCHEMBL4388077 0.94 F10 (0.46) F10DGAT1HSP90AB1GRM2EGFR
SCHEMBL4389189 0.91 F10 (0.47) F10DGAT1HSP90AB1GRM2
SCHEMBL7148853 0.88 F10 (0.44) F10DGAT1HSP90AB1GRM2
SCHEMBL4392292 0.88 F10 (0.44) F10DGAT1
SCHEMBL7148855 0.88 F10 (0.44) F10DGAT1HSP90AB1GRM2
SCHEMBL4392285 0.88 F10 (0.44) F10DGAT1
SCHEMBL7145836 0.88 F10 (0.48) F10DGAT1GRM2
SCHEMBL7145840 0.88 F10 (0.48) F10DGAT1GRM2

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 12/4885CCR5 1511/4885DGAT1 1967/4885

“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.