SCHEMBL163259

SCHEMBL163259

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 2/20 0.41
MAP4K4 O95819 1/20 0.41
GCK P35557 1/20 0.41
MAP4K1 Q92918 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.36
PIK3CA P42336 2/20 0.36
BACE1 P56817 1/20 0.36
PIK3R1 P27986 1/20 0.36

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
SCHEMBL159969 0.88 MAP4K4 (0.38) MAP4K3MAP4K4GCKMAP4K1MAP4K5
SCHEMBL163404 0.87 SLC6A2 (0.44) GAAALDH1A1LMNAMAPTRAB9A
SCHEMBL162224 0.83 MAP4K4 (0.45) MAP4K3MAP4K4GCKMAP4K1MAP4K5
SCHEMBL163421 0.80 DGAT1 (0.49) MEN1NPC1ALDH1A1LMNAMAPT
SCHEMBL158368 0.80 DGAT1 (0.49) GAAMEN1NPC1LMNAMAPT
SCHEMBL163862 0.80 DGAT1 (0.49) MEN1NPC1ALDH1A1LMNAMAPT
SCHEMBL163981 0.78 GPR119 (0.47) NPC1ALDH1A1MAPTRAB9APIK3CA
SCHEMBL174183 0.78 SMN1; SMN2 (0.41) MAP4K3MAP4K4GCKMAP4K1MAP4K5
SCHEMBL160802 0.78 DGAT1 (0.50) NPC1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL165783 0.78 TRPV1 (0.37) MAP4K3MAP4K4GCKMAP4K1MAP4K5

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 MAP4K3 1680/4885MAP4K4 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.