SCHEMBL159073

SCHEMBL159073

CCOC(=O)CN1CCC(c2ncc(-c3ccc(NC(=O)Nc4cc(F)c(F)cc4F)cc3)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.49
KDR P35968 7/20 0.42
FLT1 P17948 3/20 0.42
NTRK1 P04629 1/20 0.39
AURKA O14965 2/20 0.38
FLT3 P36888 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RIPK3 Q9Y572 1/20 0.37
DRD4 P21917 1/20 0.37
USP30 Q70CQ3 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PDGFRB P09619 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
PLA2G1B P04054 1/20 0.36
HPGD P15428 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
SCHEMBL161899 0.92 DGAT1 (0.51) DGAT1KDRFLT1NTRK1MAPT
SCHEMBL159031 0.91 DGAT1 (0.49) DGAT1KDRFLT1MAPTNPC1
SCHEMBL162528 0.90 KDR (0.40) DGAT1KDRFLT1NTRK1AURKA
SCHEMBL163877 0.89 ALDH1A1 (0.41) DGAT1KDRFLT1AURKAFLT3
SCHEMBL164644 0.88 DGAT1 (0.56) DGAT1KDRNTRK1AURKAFLT3
SCHEMBL161945 0.87 DGAT1 (0.51) DGAT1KDRFLT1NTRK1AURKA
SCHEMBL163421 0.87 DGAT1 (0.49) DGAT1KDRNTRK1AURKAFLT3
SCHEMBL162789 0.86 DGAT1 (0.50) DGAT1KDRMAPTNPC1RAB9A
SCHEMBL158884 0.85 DDX3X (0.48) DGAT1NPC1RAB9AALDH1A1MEN1
SCHEMBL163448 0.82 DGAT1 (0.53) DGAT1MAPTSMN1; SMN2ALDH1A1MEN1

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 1/4885KDR 4203/4885FLT1 4057/4885

“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.