SCHEMBL173689

SCHEMBL173689

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.39
FEN1 P39748 4/20 0.39
USP30 Q70CQ3 1/20 0.37
BACE1 P56817 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAP4K3 Q8IVH8 3/20 0.35
MIF P14174 1/20 0.35
MAP4K4 O95819 1/20 0.34
GCK P35557 1/20 0.34
MAP4K1 Q92918 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
DGAT1 O75907 2/20 0.33
CTSC P53634 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CNR2 P34972 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL174183 0.86 SMN1; SMN2 (0.41) ALOX5APFEN1BACE1CYP3A4MAP4K3
SCHEMBL174791 0.86 CPT1A (0.42) ALOX5APFEN1DGAT1TRPV1
SCHEMBL162844 0.80 CYP3A4 (0.40) USP30BACE1CYP3A4MAP4K3MAP4K4
SCHEMBL163981 0.80 GPR119 (0.47) ALOX5APFEN1USP30
SCHEMBL159969 0.79 MAP4K4 (0.38) ALOX5APFEN1USP30BACE1CYP3A4
SCHEMBL162764 0.79 DGAT1 (0.51) DGAT1
SCHEMBL160901 0.79 DGAT1 (0.50) DGAT1
SCHEMBL165783 0.78 TRPV1 (0.37) ALOX5APFEN1USP30BACE1CYP3A4
SCHEMBL25447087 0.77 CYP2C9 (0.45) DGAT1
SCHEMBL174832 0.76 CYP3A4 (0.41) BACE1CYP3A4MAP4K3MAP4K4GCK

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 ALOX5AP 545/4885FEN1 3792/4885USP30 4054/4885

“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.