SCHEMBL162844

SCHEMBL162844

CC(=O)NC(=O)CC1CCC(c2ncc(-c3ccc(N)cc3)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
USP30 Q70CQ3 1/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP4K4 O95819 2/20 0.34
DGAT1 O75907 3/20 0.34
MAP4K3 Q8IVH8 3/20 0.34
BACE1 P56817 1/20 0.34
CTSC P53634 1/20 0.34
CSNK2A1 P68400 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
GCK P35557 1/20 0.33
MAP4K1 Q92918 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33

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
SCHEMBL159068 0.81 CRACR2A (0.40) NPC1RAB9ADGAT1
SCHEMBL174183 0.81 SMN1; SMN2 (0.41) CYP3A4ALDH1A1NPC1GAARAB9A
SCHEMBL173689 0.80 ALOX5AP (0.39) CYP3A4USP30MAP4K4DGAT1MAP4K3
SCHEMBL163042 0.79 DGAT1 (0.52) CYP3A4NPC1GAARAB9ASMN1; SMN2
SCHEMBL162361 0.79 DGAT1 (0.51) DGAT1CTSCABL1
SCHEMBL162607 0.78 DGAT1 (0.53) NPC1GAARAB9ASMN1; SMN2DGAT1
SCHEMBL174674 0.77 SLC6A2 (0.41) ALDH1A1GAARAB9ASMN1; SMN2DGAT1
SCHEMBL176029 0.77 SLC6A2 (0.40) ALDH1A1SMN1; SMN2DGAT1CTSCCSNK2A1
SCHEMBL176031 0.77 SLC6A2 (0.40) ALDH1A1SMN1; SMN2DGAT1CTSCCSNK2A1
SCHEMBL176030 0.77 SLC6A2 (0.40) ALDH1A1SMN1; SMN2DGAT1CTSCCSNK2A1

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 CYP3A4 1000/4885ALDH1A1 369/4885HDAC3 688/4885

“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.