SCHEMBL162528

SCHEMBL162528

CCOC(=O)CN1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(F)c(F)c4F)cc3)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.40
FLT1 P17948 3/20 0.40
DGAT1 O75907 4/20 0.39
AURKA O14965 2/20 0.37
FLT3 P36888 2/20 0.37
NTRK1 P04629 1/20 0.37
MAPT P10636 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PLA2G1B P04054 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL161899 0.90 DGAT1 (0.51) KDRFLT1DGAT1NTRK1MAPT
SCHEMBL159031 0.90 DGAT1 (0.49) KDRFLT1DGAT1MAPTMEN1
SCHEMBL159073 0.90 DGAT1 (0.49) KDRFLT1DGAT1AURKAFLT3
SCHEMBL161965 0.89 DGAT1 (0.44) KDRDGAT1AURKAFLT3CA12
SCHEMBL163877 0.87 ALDH1A1 (0.41) KDRFLT1DGAT1AURKAFLT3
SCHEMBL162789 0.85 DGAT1 (0.50) KDRDGAT1MAPTMEN1ALDH1A1
SCHEMBL158884 0.85 DDX3X (0.48) DGAT1MEN1ALDH1A1KMT2ANPC1
SCHEMBL173575 0.81 EPHX2 (0.48) DGAT1CA12CA1CA2CA9
SCHEMBL15022055 0.80 DGAT1 (0.47) KDRDGAT1NTRK1MAPTCA12
SCHEMBL162774 0.80 DGAT1 (0.43) DGAT1NTRK1MAPTCA12CA1

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 KDR 4203/4885FLT1 4057/4885DGAT1 1/4885

“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.