SCHEMBL163876

SCHEMBL163876

CCOC(=O)CC1CCC(c2ncc(-c3ccc(N(C(=N)N)c4ccccc4F)cc3)s2)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
PTGIR P43119 5/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DGAT1 O75907 3/20 0.32
GPR88 Q9GZN0 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PPARG P37231 1/20 0.31
PARP14 Q460N5 1/20 0.31
CTSC P53634 1/20 0.31
SOAT1 P35610 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL163875 0.80 DGAT1 (0.44) JAK2JAK1TYK2JAK3DGAT1
SCHEMBL174183 0.78 SMN1; SMN2 (0.41) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL160518 0.76 DGAT1 (0.42) JAK2JAK1TYK2JAK3DGAT1
SCHEMBL173905 0.73 DGAT1 (0.52) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL163102 0.73 L3MBTL1 (0.42) JAK2JAK1TYK2JAK3DGAT1
SCHEMBL161058 0.73 DGAT1 (0.40) CYP11B1CYP11B2DGAT1PPARG
SCHEMBL161469 0.72 DGAT1 (0.49) JAK2JAK1TYK2JAK3DGAT1
SCHEMBL162246 0.72 DGAT1 (0.41) JAK2JAK1TYK2JAK3DGAT1
SCHEMBL161945 0.72 DGAT1 (0.51) DGAT1CTSC
SCHEMBL161358 0.71 DGAT1 (0.52) DGAT1

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 CYP11B1 190/4885CYP11B2 291/4885PTGIR 1056/4885

“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.