SCHEMBL161999

SCHEMBL161999

O=C(O)CC1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)s2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.58
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
CSGALNACT1 Q8TDX6 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41

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
SCHEMBL162202 0.91 DGAT1 (0.57) DGAT1CA12CA1CA2CA9
SCHEMBL159062 0.89 DGAT1 (0.47) DGAT1
SCHEMBL165064 0.89 DGAT1 (0.57) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL162607 0.89 DGAT1 (0.53) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL161358 0.88 DGAT1 (0.52) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL164677 0.88 DGAT1 (0.73) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL163439 0.88 DGAT1 (0.55) DGAT1CSGALNACT1
SCHEMBL162749 0.87 DGAT1 (0.46) DGAT1
SCHEMBL159302 0.87 DGAT1 (0.54) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL159643 0.86 DGAT1 (0.57) DGAT1NPC1RAB9ASMN1; SMN2HTT

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 1/4885NPC1 86/4885RAB9A 1781/4885

“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.