SCHEMBL4390761

SCHEMBL4390761

CCC1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1C(=O)/C=C/c1cc(Cl)cs1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.44
DGAT1 O75907 1/20 0.32
CCR1 P32246 2/20 0.31
ENPP2 Q13822 1/20 0.31
PDPK1 O15530 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL1652700 1.00 F10 (0.44) F10DGAT1CCR1ENPP2PDPK1
SCHEMBL1652283 0.94 F10 (0.43) F10DGAT1CCR1ENPP2
SCHEMBL4387258 0.94 F10 (0.43) F10DGAT1CCR1ENPP2
SCHEMBL1385317 0.93 F10 (0.45) F10DGAT1CCR1
SCHEMBL1385319 0.93 F10 (0.45) F10DGAT1CCR1
SCHEMBL1653043 0.92 F10 (0.43) F10DGAT1CCR1PDPK1
SCHEMBL4387037 0.92 F10 (0.43) F10DGAT1CCR1PDPK1
SCHEMBL1654345 0.92 F10 (0.45) F10HSP90AB1
SCHEMBL4388866 0.92 F10 (0.45) F10HSP90AB1
SCHEMBL4395406 0.92 F10 (0.46) F10DGAT1CCR1ENPP2

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 12/4885DGAT1 1967/4885CCR1 2932/4885

“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.