SCHEMBL161803

SCHEMBL161803

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(Cl)cc4Oc4ccccc4)cc3)s2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.61
P2RY1 P47900 1/20 0.49
CSGALNACT1 Q8TDX6 1/20 0.47
CNR1 P21554 2/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
IDO1 P14902 1/20 0.41
PDGFRA P16234 1/20 0.39
KDR P35968 1/20 0.39
LPAR1 Q92633 2/20 0.39

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
SCHEMBL163541 0.93 DGAT1 (0.61) DGAT1P2RY1CSGALNACT1CNR1MAPT
SCHEMBL163542 0.87 DGAT1 (0.58) DGAT1P2RY1CSGALNACT1CNR1MAPT
SCHEMBL160070 0.87 DGAT1 (0.49) DGAT1CNR1MAPT
SCHEMBL173347 0.86 DGAT1 (0.51) DGAT1CSGALNACT1CNR1MAPTTP53
SCHEMBL162624 0.85 MAPT (0.46) DGAT1CNR1MAPTTP53
SCHEMBL160635 0.85 CNR1 (0.50) DGAT1CNR1MAPTTP53KDR
SCHEMBL161666 0.84 DGAT1 (0.59) DGAT1CNR1MAPTTP53KDR
SCHEMBL161902 0.84 DGAT1 (0.46) DGAT1CNR1MAPTTP53KDR
SCHEMBL161939 0.84 DGAT1 (0.56) DGAT1CNR1KDR
SCHEMBL164820 0.83 HTR2A (0.43) DGAT1CNR1MAPTKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US 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 1/4885P2RY1 1922/4885CSGALNACT1 750/4885

“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.