SCHEMBL162224

SCHEMBL162224

CCOC(=O)CN1CCC(c2ncc(-c3ccc(N)cc3)s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
GCK P35557 1/20 0.45
MAP4K3 Q8IVH8 1/20 0.45
MAP4K1 Q92918 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.39
PPARG P37231 1/20 0.38
NPY1R P25929 1/20 0.38
ENPP2 Q13822 1/20 0.37

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
SCHEMBL163919 0.86 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL174183 0.83 SMN1; SMN2 (0.41) MAP4K4GCKMAP4K3MAP4K1MAP4K5
SCHEMBL163259 0.83 MAP4K3 (0.41) MAP4K4GCKMAP4K3MAP4K1MAP4K5
SCHEMBL161936 0.80 ENPP2 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTENPP2
SCHEMBL159031 0.79 DGAT1 (0.49) SMN1; SMN2MEN1NPC1MAPTRAB9A
SCHEMBL162789 0.79 DGAT1 (0.50) SMN1; SMN2ALDH1A1MEN1NPC1LMNA
SCHEMBL163877 0.79 ALDH1A1 (0.41) ALDH1A1LMNAGSK3BDRD4
SCHEMBL159073 0.79 DGAT1 (0.49) SMN1; SMN2ALDH1A1MEN1NPC1LMNA
SCHEMBL161899 0.78 DGAT1 (0.51) SMN1; SMN2ALDH1A1NPC1LMNAMAPT
SCHEMBL158884 0.77 DDX3X (0.48) ALDH1A1MEN1NPC1RAB9AKMT2A

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 MAP4K4 1901/4885GCK 701/4885MAP4K3 1680/4885

“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.