SCHEMBL162213

SCHEMBL162213

CC(C)(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
KDR P35968 4/20 0.42
TEK Q02763 2/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 3/20 0.41
TRPV1 Q8NER1 2/20 0.41
POLB P06746 1/20 0.41
EPHB4 P54760 1/20 0.41
AURKB Q96GD4 1/20 0.41
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
AURKA O14965 1/20 0.40
FLT3 P36888 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL162092 0.90 DGAT1 (0.50) DGAT1KDRTEKNPC1RAB9A
SCHEMBL164065 0.90 DGAT1 (0.56) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL159660 0.90 DGAT1 (0.56) DGAT1KDRTEKNPC1RAB9A
SCHEMBL160147 0.90 DGAT1 (0.55) DGAT1KDRTRPV1AURKAFLT3
SCHEMBL163862 0.89 DGAT1 (0.49) DGAT1KDRTEKNPC1RAB9A
SCHEMBL162248 0.86 DGAT1 (0.45) DGAT1KDRTRPV1AURKAFLT3
SCHEMBL161576 0.86 DGAT1 (0.55) DGAT1KDRTEKNPC1RAB9A
SCHEMBL161991 0.86 DGAT1 (0.51) DGAT1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL159317 0.85 DGAT1 (0.56) DGAT1KDRTEKNPC1RAB9A
SCHEMBL162679 0.85 DGAT1 (0.53) DGAT1KDRTEKNPC1RAB9A

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 1/4885KDR 4203/4885TEK 3387/4885

“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.