SCHEMBL4388019

SCHEMBL4388019

CCC1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1Cc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.55
DGAT1 O75907 1/20 0.36
F2 P00734 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL1652827 1.00 F10 (0.55) F10DGAT1F2CYP1A2CYP2D6
SCHEMBL4395853 0.92 F10 (0.51) F10DGAT1F2CYP1A2CYP2D6
SCHEMBL1653194 0.92 F10 (0.51) F10DGAT1F2CYP1A2CYP2D6
SCHEMBL4395763 0.91 F10 (0.53) F10DGAT1F2
SCHEMBL1651494 0.91 F10 (0.53) F10DGAT1F2
SCHEMBL4388120 0.89 F10 (0.57) F10DGAT1F2CYP1A2CYP2D6
SCHEMBL4388123 0.89 F10 (0.57) F10DGAT1F2CYP1A2CYP2D6
SCHEMBL4386654 0.89 F10 (0.53) F10DGAT1
SCHEMBL4386656 0.89 F10 (0.53) F10DGAT1
SCHEMBL1651520 0.89 F10 (0.59) F10DGAT1

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 1967/4885F2 7/4885

“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.