SCHEMBL160709

SCHEMBL160709

CC(C)(CCc1ncc(-c2ccc(NC(=O)c3ccc(-c4cnco4)cc3)cc2)s1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
KDM4E B2RXH2 3/20 0.57
RAB9A P51151 3/20 0.57
PKM P14618 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
IMPDH2 P12268 3/20 0.45
IMPDH1 P20839 1/20 0.45
HTT P42858 1/20 0.45
DGAT1 O75907 3/20 0.44
AAK1 Q2M2I8 1/20 0.43
ROCK2 O75116 3/20 0.42
PORCN Q9H237 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NAMPT P43490 1/20 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
SCHEMBL161302 0.91 NPC1 (0.53) NPC1KDM4ERAB9APKMALDH1A1
SCHEMBL162514 0.86 DGAT1 (0.48) DGAT1
SCHEMBL161164 0.86 DGAT1 (0.58) DGAT1
SCHEMBL27911962 0.85 NPC1 (0.56) NPC1KDM4ERAB9APKMALDH1A1
SCHEMBL161659 0.78 PTPN1 (0.48) DGAT1
SCHEMBL163250 0.77 DGAT1 (0.54) LMNADGAT1
SCHEMBL162708 0.76 PTPN1 (0.50) DGAT1
SCHEMBL165688 0.76 DGAT1 (0.60) DGAT1
SCHEMBL162199 0.76 ALDH1A1 (0.42) KDM4EALDH1A1LMNADGAT1ROCK2
SCHEMBL162111 0.75 RAB9A (0.46) NPC1RAB9AALDH1A1LMNAMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 CN claimed
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
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 CN disclosed
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 NPC1 86/4885KDM4E 4508/4885RAB9A 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.