SCHEMBL2181271

SCHEMBL2181271

COC(=O)C1CCCC(N2Cc3ccc(-c4ccc(NC(=O)c5cccc(Cl)c5)cc4)cc3C2=O)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
PLAU P00749 1/20 0.41
ACHE P22303 5/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC2A1 P11166 1/20 0.40
CXCR6 O00574 1/20 0.38
GRM5 P41594 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2179475 0.91 ACHE (0.43) ABCB1NPC1RAB9AACHEKMT2A
SCHEMBL2180155 0.91 HRH3 (0.40) ABCB1PLAUSLC2A1CXCR6
SCHEMBL13719516 0.89 PTPN1 (0.41) KMT2AMEN1SMN1; SMN2
SCHEMBL2196065 0.88 ALPL (0.38) KMT2A
SCHEMBL2179479 0.85 ABCB1 (0.41) ABCB1NPC1RAB9AACHESLC2A1
SCHEMBL2197775 0.85 BRD4 (0.35) RAB9AKMT2ACXCR6
SCHEMBL2180267 0.85 MEN1 (0.42) ABCB1PLAUKMT2AMEN1
SCHEMBL2181173 0.82 ACHE (0.45) ABCB1NPC1RAB9APLAUACHE
SCHEMBL2177538 0.82 ACHE (0.45) ABCB1NPC1RAB9APLAUACHE
SCHEMBL2181331 0.82 SLC2A1 (0.41) SLC2A1

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 ABCB1 1179/4885NPC1 158/4885RAB9A 2039/4885

“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.