SCHEMBL160901

SCHEMBL160901

CC(C)(C)OC(=O)CC1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.50
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
PKM P14618 2/20 0.40
KDR P35968 4/20 0.40
TEK Q02763 2/20 0.40
HTT P42858 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
EPHB4 P54760 1/20 0.39
POLB P06746 1/20 0.39
DDX3X O00571 2/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL162764 0.90 DGAT1 (0.51) DGAT1NPC1RAB9ASMN1; SMN2KDR
SCHEMBL165064 0.87 DGAT1 (0.57) DGAT1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL161991 0.85 DGAT1 (0.51) DGAT1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL162092 0.84 DGAT1 (0.50) DGAT1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL163875 0.83 DGAT1 (0.44) DGAT1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL163107 0.83 DGAT1 (0.49) DGAT1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL162638 0.82 DGAT1 (0.59) DGAT1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL160518 0.82 DGAT1 (0.42) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL164534 0.81 DGAT1 (0.73) DGAT1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL162213 0.80 DGAT1 (0.55) DGAT1NPC1RAB9ASMN1; SMN2NFKB1

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 1/4885NPC1 86/4885RAB9A 1781/4885

“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.