SCHEMBL165064

SCHEMBL165064

O=C(O)CC1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)s2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.57
PKM P14618 1/20 0.44
NPC1 O15118 2/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDR P35968 3/20 0.42
TEK Q02763 2/20 0.42
EPHB4 P54760 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 1/20 0.41
EPHX2 P34913 1/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 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
SCHEMBL161671 0.91 DGAT1 (0.47) DGAT1MEN1MAPTKMT2A
SCHEMBL161999 0.89 DGAT1 (0.58) DGAT1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL162202 0.89 DGAT1 (0.57) DGAT1KDR
SCHEMBL164578 0.89 DGAT1 (0.58) DGAT1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL164534 0.88 DGAT1 (0.73) DGAT1PKMNPC1HTTRAB9A
SCHEMBL160901 0.87 DGAT1 (0.50) DGAT1PKMNPC1HTTRAB9A
SCHEMBL162749 0.87 DGAT1 (0.46) DGAT1CNR1
SCHEMBL163439 0.86 DGAT1 (0.55) DGAT1CNR1
SCHEMBL159317 0.86 DGAT1 (0.56) DGAT1PKMNPC1HTTRAB9A
SCHEMBL159062 0.85 DGAT1 (0.47) DGAT1KDRCNR1FLT3

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 1/4885PKM 2066/4885NPC1 86/4885

“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.