SCHEMBL162039

SCHEMBL162039

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.53
KDR P35968 3/20 0.45
KIT P10721 1/20 0.45
FLT3 P36888 1/20 0.45
EGFR P00533 2/20 0.41
FGFR1 P11362 2/20 0.41
P2RY1 P47900 6/20 0.41
P2RY14 Q15391 2/20 0.41
P2RY2 P41231 1/20 0.41
KCNH2 Q12809 2/20 0.40
IDH1 O75874 1/20 0.40

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
SCHEMBL161394 0.92 DGAT1 (0.59) DGAT1KDRKITFLT3EGFR
SCHEMBL158660 0.88 DGAT1 (0.49) DGAT1KDRKITFLT3FGFR1
SCHEMBL162638 0.87 DGAT1 (0.59) DGAT1KDR
SCHEMBL161395 0.87 DGAT1 (0.46) DGAT1KDRKITFLT3EGFR
SCHEMBL161666 0.86 DGAT1 (0.59) DGAT1KDRKIT
SCHEMBL161939 0.86 DGAT1 (0.56) DGAT1KDRKITFLT3
SCHEMBL173698 0.84 DGAT1 (0.50) DGAT1KDRKIT
SCHEMBL15022189 0.82 DGAT1 (0.54) DGAT1KDRKIT
SCHEMBL161308 0.82 DGAT1 (0.61) DGAT1KDR
SCHEMBL162685 0.82 DGAT1 (0.46) DGAT1KDRKITFLT3

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 1/4885KDR 4203/4885KIT 4789/4885

“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.