SCHEMBL165783

SCHEMBL165783

CC(C(=O)OC(C)(C)C)N1CCC(c2ncc(-c3ccc(N)cc3)s2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.37
MAP4K4 O95819 1/20 0.37
GCK P35557 1/20 0.37
MAP4K3 Q8IVH8 1/20 0.37
MAP4K1 Q92918 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
CYP3A4 P08684 1/20 0.36
USP30 Q70CQ3 1/20 0.36
BACE1 P56817 1/20 0.36
MLYCD O95822 1/20 0.35
GPR119 Q8TDV5 2/20 0.33
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
CPT1A P50416 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL161813 0.87 CPT1A (0.42) TRPV1CPT1AALDH1A1MAPT
SCHEMBL159969 0.86 MAP4K4 (0.38) TRPV1MAP4K4GCKMAP4K3MAP4K1
SCHEMBL163981 0.85 GPR119 (0.47) USP30GPR119ALOX5APFEN1NPC1
SCHEMBL160146 0.80 DGAT1 (0.49) TRPV1TRPM8
SCHEMBL163107 0.80 DGAT1 (0.49) TRPV1TRPM8NPC1MAPTHTT
SCHEMBL160759 0.80 DGAT1 (0.49) TRPV1TRPM8NPC1MAPTRAB9A
SCHEMBL161574 0.80 DGAT1 (0.40) TRPV1TRPM8MAPT
SCHEMBL161788 0.78 DGAT1 (0.50) NPC1MAPTHTTRAB9APIK3CA
SCHEMBL163259 0.78 MAP4K3 (0.41) TRPV1MAP4K4GCKMAP4K3MAP4K1
SCHEMBL173689 0.78 ALOX5AP (0.39) TRPV1MAP4K4GCKMAP4K3MAP4K1

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 3 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 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 TRPV1 2426/4885MAP4K4 1901/4885GCK 701/4885

“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.