SCHEMBL159291

SCHEMBL159291

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.51
MAP4K4 O95819 2/20 0.42
KDR P35968 3/20 0.37
KIT P10721 1/20 0.37
SLC6A9 P48067 1/20 0.37
ABL1 P00519 1/20 0.36
RIPK1 Q13546 1/20 0.36
CTSC P53634 1/20 0.35
CSF1R P07333 1/20 0.35
AURKA O14965 1/20 0.35
FLT3 P36888 1/20 0.35
CNR1 P21554 1/20 0.35
CDK8 P49336 1/20 0.35

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
SCHEMBL163439 0.90 DGAT1 (0.55) DGAT1MAP4K4CNR1
SCHEMBL161469 0.85 DGAT1 (0.49) DGAT1KDRKITAURKAFLT3
SCHEMBL162577 0.84 DGAT1 (0.56) DGAT1KDRKITAURKAFLT3
SCHEMBL161946 0.84 DGAT1 (0.51) DGAT1KDRKITSLC6A9CTSC
SCHEMBL162084 0.83 DGAT1 (0.71) DGAT1KDRKITAURKAFLT3
SCHEMBL162085 0.82 DGAT1 (0.53) DGAT1MAP4K4KDRKITCTSC
SCHEMBL159062 0.82 DGAT1 (0.47) DGAT1KDRCTSCAURKAFLT3
SCHEMBL162749 0.81 DGAT1 (0.46) DGAT1CTSCCNR1
SCHEMBL174097 0.80 DGAT1 (0.58) DGAT1MAP4K4KDRKITABL1
SCHEMBL160614 0.80 DGAT1 (0.53) DGAT1KDRKITRIPK1CTSC

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 1/4885MAP4K4 1901/4885KDR 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.