SCHEMBL163012

SCHEMBL163012

O=C(Nc1ccc(-c2noc([C@H]3CC[C@H](C(=O)O)CC3)n2)cc1)Nc1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.54
PIK3CA P42336 1/20 0.52
MTOR P42345 1/20 0.52
PIK3CG P48736 1/20 0.52
HTT P42858 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 5/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TSHR P16473 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
MAPK1 P28482 3/20 0.47

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
SCHEMBL162493 1.00 DGAT1 (0.54) DGAT1PIK3CAMTORPIK3CGHTT
SCHEMBL162121 0.82 NPC1 (0.56) DGAT1PIK3CAMTORPIK3CGHTT
SCHEMBL161998 0.82 NPC1 (0.56) DGAT1PIK3CAMTORPIK3CGHTT
SCHEMBL163038 0.82 DGAT1 (0.55) DGAT1HTTSMN1; SMN2LMNAMAPT
SCHEMBL162496 0.82 DGAT1 (0.55) DGAT1HTTSMN1; SMN2LMNAMAPT
SCHEMBL162490 0.79 DGAT1 (0.52) DGAT1HTTSMN1; SMN2LMNAMAPT
SCHEMBL162837 0.79 DGAT1 (0.52) DGAT1HTTSMN1; SMN2LMNAMAPT
SCHEMBL161638 0.78 P2RY1 (0.52) DGAT1HTTSMN1; SMN2LMNAMAPT
SCHEMBL161320 0.78 P2RY1 (0.52) DGAT1HTTSMN1; SMN2LMNAMAPT
SCHEMBL164677 0.76 DGAT1 (0.73) DGAT1PIK3CAMTORPIK3CGHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US 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 DGAT1 1/4885PIK3CA 1213/4885MTOR 996/4885

“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.