SCHEMBL164534

SCHEMBL164534

O=C(Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)s2)cc1)Nc1ccccc1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.73
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
KDR P35968 3/20 0.44
TEK Q02763 2/20 0.44
EPHB4 P54760 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 1/20 0.43
EPHX2 P34913 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL162706 0.90 DGAT1 (0.59) DGAT1KDRKMT2ACNR1FLT3
SCHEMBL161973 0.90 DGAT1 (0.69) DGAT1NPC1RAB9AKDRCNR1
SCHEMBL162638 0.90 DGAT1 (0.59) DGAT1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL161895 0.89 DGAT1 (0.72) DGAT1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL164677 0.89 DGAT1 (0.73) DGAT1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL163679 0.89 DGAT1 (0.61) DGAT1NPC1RAB9APOLBTEK
SCHEMBL165743 0.89 DGAT1 (0.73) DGAT1KDRCNR1
SCHEMBL165064 0.88 DGAT1 (0.57) DGAT1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL159539 0.88 DGAT1 (0.57) DGAT1NPC1RAB9AKDRMEN1
SCHEMBL162773 0.88 DGAT1 (0.57) DGAT1KDRMEN1KMT2ACNR1

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.