SCHEMBL160576

SCHEMBL160576

Cc1nnc(CC2CCC(c3ncc(-c4ccc(NC(=O)Nc5ccccc5)cc4)s3)CC2)o1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.44
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
AURKA O14965 1/20 0.41
CNR1 P21554 1/20 0.40
KIT P10721 1/20 0.39
NAMPT P43490 2/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL161809 0.92 DGAT1 (0.50) DGAT1KDRFLT3CNR1KIT
SCHEMBL162955 0.90 DGAT1 (0.47) DGAT1KDRFLT3AURKAKIT
SCHEMBL159069 0.88 DGAT1 (0.49) DGAT1KDRFLT3AURKA
SCHEMBL162787 0.88 DGAT1 (0.41) DGAT1KDRFLT3AURKA
SCHEMBL159500 0.87 DGAT1 (0.51) DGAT1
SCHEMBL159701 0.86 IL2 (0.39) DGAT1CDK2ALDH1A1
SCHEMBL162601 0.85 SIRT2 (0.45) DGAT1KDRFLT3AURKACNR1
SCHEMBL162333 0.81 DGAT1 (0.40) DGAT1
SCHEMBL170836 0.79 SLC6A2 (0.45) DGAT1KDM4EALDH1A1
SCHEMBL161973 0.78 DGAT1 (0.69) DGAT1KDRFLT3AURKACNR1

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 1/4885KDR 4203/4885FLT3 4106/4885

“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.