SCHEMBL161173

SCHEMBL161173

CC(C(=O)O)N1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccccc4Cl)cc3)s2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.57
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR1 P21554 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
CSGALNACT1 Q8TDX6 1/20 0.42
TEK Q02763 3/20 0.42
KIT P10721 1/20 0.42
KDR P35968 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
SCHEMBL161576 0.90 DGAT1 (0.55) DGAT1NPC1RAB9APOLBKMT2A
SCHEMBL160759 0.89 DGAT1 (0.49) DGAT1NPC1RAB9AMEN1MAPT
SCHEMBL159660 0.86 DGAT1 (0.56) DGAT1NPC1RAB9AKDM4EMEN1
SCHEMBL162142 0.85 DGAT1 (0.56) DGAT1NPC1RAB9AKDM4EMEN1
SCHEMBL160037 0.85 DGAT1 (0.54) DGAT1NPC1RAB9AMEN1POLB
SCHEMBL161895 0.85 DGAT1 (0.72) DGAT1NPC1RAB9AKDM4EMEN1
SCHEMBL163321 0.84 DGAT1 (0.55) DGAT1TRPV1KITKDR
SCHEMBL158738 0.83 DGAT1 (0.51) DGAT1NPC1RAB9AMEN1MAPT
SCHEMBL164728 0.83 DGAT1 (0.56) DGAT1NPC1RAB9AMEN1GAA
SCHEMBL165240 0.82 DGAT1 (0.51) DGAT1MEN1MAPTKMT2A

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.