SCHEMBL160829

SCHEMBL160829

CC(C)(CCc1ncc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)s1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.57
CNR1 P21554 1/20 0.47
MAPT P10636 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TEK Q02763 2/20 0.44
KIT P10721 1/20 0.44
KDR P35968 1/20 0.44
ALOX5 P09917 1/20 0.44
EPHX2 P34913 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL161882 0.91 DGAT1 (0.53) DGAT1CNR1MAPTNPC1RAB9A
SCHEMBL159978 0.90 DGAT1 (0.58) DGAT1CNR1MAPTNPC1RAB9A
SCHEMBL160057 0.89 DGAT1 (0.54) DGAT1CNR1MAPTNPC1RAB9A
SCHEMBL162252 0.85 DGAT1 (0.48) DGAT1CNR1MAPTNPC1RAB9A
SCHEMBL163121 0.85 DGAT1 (0.59) DGAT1CNR1MAPTNPC1RAB9A
SCHEMBL174042 0.85 CNR1 (0.43) DGAT1CNR1NPC1RAB9AMEN1
SCHEMBL15022035 0.84 DGAT1 (0.54) DGAT1CNR1MAPTNPC1RAB9A
SCHEMBL158944 0.83 DGAT1 (0.58) DGAT1CNR1MAPTNPC1RAB9A
SCHEMBL161878 0.83 DGAT1 (0.52) DGAT1CNR1MAPTTEKKIT
SCHEMBL15022045 0.83 DGAT1 (0.60) DGAT1CNR1MAPTNPC1RAB9A

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 DGAT1 1/4885CNR1 946/4885MAPT 137/4885

“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.