SCHEMBL160661

SCHEMBL160661

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4cc(F)c(F)cc4F)cc3)s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.59
KDR P35968 6/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NTRK1 P04629 1/20 0.39
CTSC P53634 1/20 0.38
BRAF P15056 2/20 0.38
RIPK3 Q9Y572 2/20 0.38
RIPK1 Q13546 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PDGFRB P09619 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
SCHEMBL161308 0.91 DGAT1 (0.61) DGAT1KDRCA12CA1CA2
SCHEMBL163741 0.91 DGAT1 (0.48) DGAT1KDRMAPTPDGFRB
SCHEMBL173286 0.90 KDR (0.49) DGAT1KDRMAPTPDGFRB
SCHEMBL165743 0.90 DGAT1 (0.73) DGAT1KDRCA12CA1CA2
SCHEMBL173347 0.90 DGAT1 (0.51) DGAT1KDRCA12CA1CA2
SCHEMBL162638 0.89 DGAT1 (0.59) DGAT1KDRMAPTPDGFRB
SCHEMBL15022055 0.88 DGAT1 (0.47) DGAT1KDRCA12CA1CA2
SCHEMBL174097 0.88 DGAT1 (0.58) DGAT1KDRNTRK1BRAFTP53
SCHEMBL174112 0.87 DGAT1 (0.48) DGAT1KDRCA12CA1CA2
SCHEMBL173959 0.87 DGAT1 (0.60) DGAT1CA12CA1CA2CA9

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 4203/4885CA12 4307/4885

“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.