SCHEMBL174493

SCHEMBL174493

COC(=O)C(C)(C)CCc1ncc(-c2ccc(NC(=O)Nc3nnn[nH]3)cc2)s1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.35
CNR1 P21554 1/20 0.34
DGAT1 O75907 7/20 0.34
MAPT P10636 5/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AURKA O14965 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL164468 0.91 CNR1 (0.37) NAMPTCNR1DGAT1AURKA
SCHEMBL161205 0.84 MAPT (0.46) CNR1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL164809 0.84 MAPT (0.42) CNR1DGAT1MAPTSMN1; SMN2NPC1
SCHEMBL162879 0.83 RAB9A (0.44) CNR1DGAT1SMN1; SMN2NPC1RAB9A
SCHEMBL160684 0.81 DGAT1 (0.49) CNR1DGAT1MAPTSMN1; SMN2NPC1
SCHEMBL160328 0.81 DGAT1 (0.40) NAMPTCNR1DGAT1MAPTKDR
SCHEMBL160962 0.80 ALDH1A1 (0.42) NAMPTDGAT1MAPTALDH1A1SMN1; SMN2
SCHEMBL161621 0.79 DGAT1 (0.51) DGAT1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL159242 0.79 DGAT1 (0.51) DGAT1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL161882 0.79 DGAT1 (0.53) CNR1DGAT1MAPTSMN1; SMN2NPC1

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 NAMPT 32/4885CNR1 946/4885DGAT1 1/4885

“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.