SCHEMBL2181333

SCHEMBL2181333

O=COC1CCCC(N2Cc3ccc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)cc3C2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.38
ABCB1 P08183 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCR6 O00574 1/20 0.38
MCHR1 Q99705 3/20 0.38
TMPRSS2 O15393 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL2179479 0.91 ABCB1 (0.41) SLC2A1ABCB1NPC1RAB9A
SCHEMBL2180605 0.90 SLC2A1 (0.41) SLC2A1ABCB1MEN1NPC1RAB9A
SCHEMBL2197877 0.89 JAK2 (0.34)
SCHEMBL2179471 0.86 SLC2A1 (0.40) SLC2A1ABCB1MCHR1TMPRSS2HSD11B1
SCHEMBL2181331 0.85 SLC2A1 (0.41) SLC2A1MCHR1TMPRSS2HRH3HSD11B1
SCHEMBL2180155 0.84 HRH3 (0.40) SLC2A1ABCB1CXCR6MCHR1TMPRSS2
SCHEMBL2197237 0.82 MAPK1 (0.34) KMT2A
SCHEMBL2177542 0.81 ABCB1 (0.42) SLC2A1ABCB1NPC1RAB9A
SCHEMBL2178717 0.79 SLC2A1 (0.43) SLC2A1ABCB1MCHR1TMPRSS2HRH3
SCHEMBL2180602 0.79 SLC2A1 (0.43) SLC2A1ABCB1MCHR1TMPRSS2HRH3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US claimed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US claimed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP claimed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO claimed
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US disclosed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US disclosed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 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-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE DGAT1, DGAT2, LCAT SLC2A1 464/4885ABCB1 1179/4885MEN1 3071/4885

“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.