SCHEMBL161574

SCHEMBL161574

CC(C(=O)OC(C)(C)C)N1CCC(c2ncc(-c3ccc(NC(=O)Nc4c(F)cc(F)cc4F)cc3)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.40
FLT3 P36888 2/20 0.36
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MAPT P10636 2/20 0.34
EPHX2 P34913 1/20 0.34
TP53 P04637 1/20 0.34
P2RX7 Q99572 2/20 0.33
CSF1R P07333 1/20 0.33
THRB P10828 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33

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
SCHEMBL161788 0.91 DGAT1 (0.50) DGAT1KDRMAPTTP53
SCHEMBL160146 0.89 DGAT1 (0.49) DGAT1FLT3AURKAKDRTRPV1
SCHEMBL162204 0.89 DGAT1 (0.41) DGAT1FLT3AURKAKDRTRPV1
SCHEMBL161055 0.89 DGAT1 (0.45) DGAT1FLT3AURKAKDRTRPV1
SCHEMBL160846 0.88 PTPN2 (0.46) DGAT1MAPTTP53THRBPTPN2
SCHEMBL163107 0.88 DGAT1 (0.49) DGAT1FLT3KDRTRPV1TRPM8
SCHEMBL162248 0.84 DGAT1 (0.45) DGAT1FLT3AURKAKDRTRPV1
SCHEMBL160759 0.83 DGAT1 (0.49) DGAT1KDRTRPV1TRPM8MAPT
SCHEMBL160969 0.81 NPY5R (0.45) DGAT1FLT3AURKAKDREPHX2
SCHEMBL163877 0.80 ALDH1A1 (0.41) DGAT1FLT3AURKAKDREPHX2

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 1/4885FLT3 4106/4885AURKA 4442/4885

“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.