SCHEMBL161576

SCHEMBL161576

CC(C(=O)O)N1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.55
TRPV1 Q8NER1 2/20 0.43
KMT2A Q03164 1/20 0.43
KDR P35968 4/20 0.42
TEK Q02763 2/20 0.42
DDX3X O00571 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
EPHB4 P54760 1/20 0.41
AURKB Q96GD4 1/20 0.41
AURKA O14965 1/20 0.40
FLT3 P36888 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL164728 0.90 DGAT1 (0.56) DGAT1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL161173 0.90 DGAT1 (0.57) DGAT1TRPV1KMT2AKDRTEK
SCHEMBL163321 0.90 DGAT1 (0.55) DGAT1TRPV1KDRAURKAFLT3
SCHEMBL163107 0.89 DGAT1 (0.49) DGAT1TRPV1KMT2AKDRTEK
SCHEMBL161055 0.86 DGAT1 (0.45) DGAT1TRPV1KDRAURKAFLT3
SCHEMBL162213 0.86 DGAT1 (0.55) DGAT1TRPV1KMT2AKDRTEK
SCHEMBL162679 0.85 DGAT1 (0.53) DGAT1KMT2AKDRTEKDDX3X
SCHEMBL159317 0.85 DGAT1 (0.56) DGAT1TRPV1KMT2AKDRTEK
SCHEMBL164534 0.84 DGAT1 (0.73) DGAT1KMT2AKDRTEKNPC1
SCHEMBL162092 0.83 DGAT1 (0.50) DGAT1TRPV1KMT2AKDRTEK

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 1/4885TRPV1 2426/4885KMT2A 2187/4885

“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.