SCHEMBL159347

SCHEMBL159347

CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 5/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 3/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
LMNA P02545 3/20 0.43
THRB P10828 2/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL160846 0.90 PTPN2 (0.46) DGAT1SMN1; SMN2MAPTPOLBTP53
SCHEMBL161991 0.90 DGAT1 (0.51) DGAT1SMN1; SMN2MAPTTP53PTPN2
SCHEMBL164061 0.90 DGAT1 (0.51) DGAT1SMN1; SMN2MAPTLMNAPIK3CA
SCHEMBL161788 0.88 DGAT1 (0.50) DGAT1SMN1; SMN2MAPTTP53LMNA
SCHEMBL164065 0.86 DGAT1 (0.56) DGAT1SMN1; SMN2MAPTTP53LMNA
SCHEMBL17151815 0.84 POLB (0.49) SMN1; SMN2POLBTP53PTPN2PTPN1
SCHEMBL165240 0.84 DGAT1 (0.51) DGAT1MAPTPTPN2PTPN1PTPN6
SCHEMBL160802 0.84 DGAT1 (0.50) DGAT1SMN1; SMN2MAPTPOLBTP53
SCHEMBL161432 0.84 DGAT1 (0.55) DGAT1SMN1; SMN2MAPTTP53LMNA
SCHEMBL162343 0.83 DGAT1 (0.56) DGAT1SMN1; SMN2MAPTLMNAPIK3CA

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 1/4885SMN1; SMN2 2105/4885MAPT 137/4885

“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.