SCHEMBL163439

SCHEMBL163439

O=C(O)CC1CCC(c2ncc(-c3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.55
MAP4K4 O95819 1/20 0.40
CNR1 P21554 1/20 0.39
SOAT1 P35610 2/20 0.38
CSGALNACT1 Q8TDX6 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
SCHEMBL159062 0.92 DGAT1 (0.47) DGAT1CNR1SOAT1
SCHEMBL162749 0.91 DGAT1 (0.46) DGAT1CNR1SOAT1
SCHEMBL159291 0.90 DGAT1 (0.51) DGAT1MAP4K4CNR1
SCHEMBL161999 0.88 DGAT1 (0.58) DGAT1CSGALNACT1
SCHEMBL162202 0.88 DGAT1 (0.57) DGAT1SOAT1
SCHEMBL161469 0.87 DGAT1 (0.49) DGAT1
SCHEMBL162084 0.87 DGAT1 (0.71) DGAT1CNR1
SCHEMBL162577 0.86 DGAT1 (0.56) DGAT1CNR1CSGALNACT1
SCHEMBL165064 0.86 DGAT1 (0.57) DGAT1CNR1
SCHEMBL161946 0.86 DGAT1 (0.51) DGAT1CNR1

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 1/4885MAP4K4 1901/4885CNR1 946/4885

“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.