SCHEMBL161034

SCHEMBL161034

Nc1ccc(-c2cnc(C3CCN(S(=O)(=O)C(F)(F)F)CC3)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
CNR1 P21554 13/20 0.39
MLYCD O95822 4/20 0.38
MAP4K4 O95819 1/20 0.36
GCK P35557 1/20 0.36
MAP4K3 Q8IVH8 1/20 0.36
MAP4K1 Q92918 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
CNR2 P34972 6/20 0.36
BACE1 P56817 1/20 0.35

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
SCHEMBL161492 0.85 SLC6A2 (0.44) HSD11B1CNR1MLYCD
SCHEMBL161974 0.85 HTT (0.42) HSD11B1MAP4K4GCKMAP4K3MAP4K1
SCHEMBL28806672 0.84 KIF11 (0.41) CNR1MLYCDCNR2
SCHEMBL162160 0.77 DGAT1 (0.42) CNR1MLYCD
SCHEMBL163197 0.77 DGAT1 (0.52) MLYCD
SCHEMBL164736 0.77 DGAT1 (0.52)
SCHEMBL163324 0.76 DGAT1 (0.52) CNR1
SCHEMBL163981 0.73 GPR119 (0.47)
SCHEMBL159969 0.72 MAP4K4 (0.38) MLYCDMAP4K4GCKMAP4K3MAP4K1
SCHEMBL165783 0.70 TRPV1 (0.37) MLYCDMAP4K4GCKMAP4K3MAP4K1

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 HSD11B1 161/4885CNR1 946/4885MLYCD 808/4885

“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.