SCHEMBL161469

SCHEMBL161469

CCOC(=O)CC1CCC(c2ncc(-c3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.49
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.38
KDR P35968 3/20 0.37
AURKA O14965 2/20 0.37
FLT3 P36888 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP3 P42574 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 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
SCHEMBL162246 0.93 DGAT1 (0.41) DGAT1L3MBTL1MAPTKDRAURKA
SCHEMBL163102 0.92 L3MBTL1 (0.42) DGAT1L3MBTL1MAPTKDRAURKA
SCHEMBL161358 0.89 DGAT1 (0.52) DGAT1MAPTKDRNPC1RAB9A
SCHEMBL161945 0.89 DGAT1 (0.51) DGAT1L3MBTL1MAPTKDRAURKA
SCHEMBL163439 0.87 DGAT1 (0.55) DGAT1
SCHEMBL159291 0.85 DGAT1 (0.51) DGAT1KDRAURKAFLT3KIT
SCHEMBL162085 0.84 DGAT1 (0.53) DGAT1KDRAURKAKITTEK
SCHEMBL162577 0.83 DGAT1 (0.56) DGAT1KDRAURKAFLT3KIT
SCHEMBL161946 0.83 DGAT1 (0.51) DGAT1KDRAURKAFLT3KIT
SCHEMBL174097 0.82 DGAT1 (0.58) DGAT1MAPTKDRAURKAFLT3

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 1/4885L3MBTL1 1179/4885MAPT 137/4885

“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.