SCHEMBL161580

SCHEMBL161580

COC(=O)C(C)(C)CCc1ncc(-c2ccc(N/C(=N\C#N)Nc3ccccc3F)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.39
P2RX7 Q99572 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
PKM P14618 1/20 0.34
ESR1 P03372 1/20 0.34
ESRRG P62508 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL161581 1.00 DGAT1 (0.39) DGAT1P2RX7SMN1; SMN2RAB9ANPC1
SCHEMBL161031 0.92 DGAT1 (0.42) DGAT1P2RX7SMN1; SMN2ESR1ESRRG
SCHEMBL160964 0.90 DGAT1 (0.41) DGAT1SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL160965 0.90 DGAT1 (0.41) DGAT1SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL161621 0.87 DGAT1 (0.51) DGAT1SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL158371 0.86 DGAT1 (0.42) DGAT1SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL158872 0.86 DGAT1 (0.44) DGAT1SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL162409 0.81 DGAT1 (0.44) DGAT1SMN1; SMN2ESR1ESRRGMAPT
SCHEMBL162408 0.81 DGAT1 (0.44) DGAT1SMN1; SMN2ESR1ESRRGMAPT
SCHEMBL161532 0.80 DGAT1 (0.40) DGAT1SMN1; SMN2ESR1ESRRGPIK3CD

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 1/4885P2RX7 3793/4885SMN1; SMN2 2105/4885

“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.