SCHEMBL174183

SCHEMBL174183

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
DGAT1 O75907 3/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
DYRK1A Q13627 1/20 0.37
MAP4K3 Q8IVH8 3/20 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
SCHEMBL173689 0.86 ALOX5AP (0.39) DGAT1ALOX5APFEN1MAP4K3MIF
SCHEMBL173905 0.86 DGAT1 (0.52) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL162224 0.83 MAP4K4 (0.45) SMN1; SMN2ALDH1A1MEN1NPC1LMNA
SCHEMBL174454 0.81 CNR2 (0.38) SMN1; SMN2ALDH1A1MEN1GAAMAPT
SCHEMBL162844 0.81 CYP3A4 (0.40) SMN1; SMN2ALDH1A1NPC1GAARAB9A
SCHEMBL161469 0.80 DGAT1 (0.49) SMN1; SMN2ALDH1A1MEN1NPC1LMNA
SCHEMBL163102 0.80 L3MBTL1 (0.42) SMN1; SMN2ALDH1A1MEN1NPC1LMNA
SCHEMBL161945 0.78 DGAT1 (0.51) SMN1; SMN2ALDH1A1MEN1NPC1LMNA
SCHEMBL162246 0.78 DGAT1 (0.41) SMN1; SMN2MEN1NPC1MAPTRAB9A
SCHEMBL163876 0.78 CYP11B1 (0.33) JAK2JAK1TYK2JAK3DGAT1

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 SMN1; SMN2 2105/4885ALDH1A1 369/4885MEN1 2803/4885

“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.