SCHEMBL162879

SCHEMBL162879

COC(=O)C(C)(C)CCc1ncc(-c2ccc(NC(=O)Nc3ccc(C(C)C)cc3)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.42
CNR1 P21554 1/20 0.40
MAPK14 Q16539 1/20 0.39
NTRK1 P04629 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
GHSR Q92847 1/20 0.38
DGAT1 O75907 4/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
KIF11 P52732 1/20 0.38
EPHX1 P07099 2/20 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
SCHEMBL174042 0.90 CNR1 (0.43) RAB9AMEN1KMT2ANPC1CNR1
SCHEMBL161205 0.89 MAPT (0.46) RAB9AMEN1KMT2ANPC1CNR1
SCHEMBL164809 0.89 MAPT (0.42) RAB9AMEN1KMT2ANPC1CNR1
SCHEMBL160684 0.86 DGAT1 (0.49) RAB9AMEN1KMT2ANPC1CNR1
SCHEMBL161882 0.86 DGAT1 (0.53) RAB9AMEN1KMT2ANPC1CNR1
SCHEMBL160328 0.85 DGAT1 (0.40) CNR1MAPK14NTRK1DGAT1
SCHEMBL160962 0.84 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2DGAT1
SCHEMBL159242 0.84 DGAT1 (0.51) RAB9ANPC1MAPK14NTRK1SMN1; SMN2
SCHEMBL161621 0.84 DGAT1 (0.51) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL174493 0.83 NAMPT (0.35) RAB9ANPC1CNR1SMN1; SMN2DGAT1

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 RAB9A 1781/4885MEN1 2803/4885KMT2A 2187/4885

“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.