SCHEMBL161894

SCHEMBL161894

COC(=O)CCCc1nnc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Oc3ccccc3)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.52
DGAT1 O75907 2/20 0.51
CSGALNACT1 Q8TDX6 1/20 0.49
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
PDGFRA P16234 2/20 0.39
KDR P35968 2/20 0.39
IDO1 P14902 1/20 0.39
FFAR1 O14842 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX5 P09917 1/20 0.38
EPHX2 P34913 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
GRIK1 P39086 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL162088 0.93 P2RY1 (0.54) P2RY1DGAT1CSGALNACT1MAPTTP53
SCHEMBL162622 0.86 DGAT1 (0.62) P2RY1DGAT1CSGALNACT1MAPTTP53
SCHEMBL160976 0.83 SMN1; SMN2 (0.51) DGAT1MAPTTP53KDRMEN1
SCHEMBL165167 0.81 DGAT1 (0.64) P2RY1DGAT1CSGALNACT1MAPTTP53
SCHEMBL162131 0.80 CSGALNACT1 (0.52) P2RY1DGAT1CSGALNACT1MAPTTP53
SCHEMBL161829 0.79 DGAT1 (0.63) P2RY1DGAT1CSGALNACT1MAPTTP53
SCHEMBL162693 0.78 SMN1; SMN2 (0.51) CSGALNACT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL159199 0.78 MEN1 (0.52) MAPTFFAR1MEN1KMT2AEPHX2
SCHEMBL159376 0.75 DGAT1 (0.64) P2RY1DGAT1CSGALNACT1MAPTTP53
SCHEMBL164904 0.74 SMN1; SMN2 (0.51) DGAT1MAPTTP53KDRMEN1

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 P2RY1 1922/4885DGAT1 1/4885CSGALNACT1 750/4885

“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.