SCHEMBL159576

SCHEMBL159576

O=C(O)CN1CCC(c2ncc(-c3ccc(NC(=O)Nc4c(F)cc(F)cc4F)cc3)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.45
AURKA O14965 2/20 0.39
KDR P35968 2/20 0.39
FLT3 P36888 2/20 0.39
EPHX2 P34913 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
SCN9A Q15858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL159643 0.90 DGAT1 (0.57) DGAT1EPHX2DRD4ALDH1A1
SCHEMBL163877 0.88 ALDH1A1 (0.41) DGAT1AURKAKDRFLT3EPHX2
SCHEMBL164644 0.88 DGAT1 (0.56) DGAT1AURKAKDRFLT3TRPV1
SCHEMBL159317 0.86 DGAT1 (0.56) DGAT1KDRFLT3TRPV1DRD4
SCHEMBL159062 0.86 DGAT1 (0.47) DGAT1AURKAKDRFLT3
SCHEMBL162248 0.85 DGAT1 (0.45) DGAT1AURKAKDRFLT3EPHX2
SCHEMBL161055 0.85 DGAT1 (0.45) DGAT1AURKAKDRFLT3TRPV1
SCHEMBL161965 0.85 DGAT1 (0.44) DGAT1AURKAKDRFLT3EPHX2
SCHEMBL160969 0.84 NPY5R (0.45) DGAT1AURKAKDRFLT3EPHX2
SCHEMBL162160 0.83 DGAT1 (0.42) DGAT1AURKAKDRFLT3EPHX2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 DGAT1 1/4885AURKA 4442/4885KDR 4203/4885

“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.