SCHEMBL161801

SCHEMBL161801

COC(=O)C12CC3CC(C1)CC(c1ncc(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)s1)(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
KDR P35968 9/20 0.46
PDGFRB P09619 4/20 0.46
EPHX2 P34913 1/20 0.46
CDK8 P49336 4/20 0.44
TEK Q02763 3/20 0.44
CDK7 P50613 1/20 0.44
CDK6 Q00534 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK14 Q16539 2/20 0.43
TNNI3K Q59H18 1/20 0.43
KIT P10721 3/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CSF1R P07333 2/20 0.42

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
SCHEMBL163187 0.92 DGAT1 (0.53) DGAT1SMN1; SMN2MAPTKDRPDGFRB
SCHEMBL161816 0.86 DGAT1 (0.47) DGAT1SMN1; SMN2MAPTKDREPHX2
SCHEMBL175824 0.85 EPHX2 (0.40) DGAT1SMN1; SMN2KDREPHX2KMT2A
SCHEMBL162102 0.84 EPHX2 (0.52) DGAT1SMN1; SMN2MAPTNPC1KDR
SCHEMBL162546 0.84 DGAT1 (0.49) DGAT1SMN1; SMN2MAPTKDRPDGFRB
SCHEMBL175829 0.82 DGAT1 (0.50) DGAT1SMN1; SMN2MAPTNPC1KDR
SCHEMBL161249 0.82 DGAT1 (0.49) DGAT1MAPTNPC1KDREPHX2
SCHEMBL161985 0.82 EPHX2 (0.41) DGAT1SMN1; SMN2MAPTEPHX2LMNA
SCHEMBL161926 0.78 CYP3A4 (0.39) DGAT1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL163047 0.78 DGAT1 (0.51) DGAT1KDREPHX2TEKKMT2A

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 1/4885SMN1; SMN2 2105/4885MAPT 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.