SCHEMBL163877

SCHEMBL163877

CCOC(=O)CN1CCC(c2ncc(-c3ccc(NC(=O)Nc4c(F)cc(F)cc4F)cc3)s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
DGAT1 O75907 3/20 0.40
DRD4 P21917 5/20 0.38
KDR P35968 4/20 0.38
AURKA O14965 3/20 0.38
FLT3 P36888 3/20 0.38
DRD2 P14416 1/20 0.38
POLB P06746 1/20 0.38
FLT1 P17948 1/20 0.38
EPHX2 P34913 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37

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 0.91 DGAT1 (0.51) ALDH1A1LMNADGAT1KDRPOLB
SCHEMBL159073 0.89 DGAT1 (0.49) ALDH1A1LMNADGAT1DRD4KDR
SCHEMBL159576 0.88 DGAT1 (0.45) ALDH1A1LMNADGAT1DRD4KDR
SCHEMBL159031 0.87 DGAT1 (0.49) DGAT1KDRFLT1
SCHEMBL162246 0.87 DGAT1 (0.41) DGAT1KDRAURKAFLT3
SCHEMBL162528 0.87 KDR (0.40) ALDH1A1LMNADGAT1KDRAURKA
SCHEMBL162789 0.82 DGAT1 (0.50) ALDH1A1LMNADGAT1DRD4KDR
SCHEMBL158884 0.82 DDX3X (0.48) ALDH1A1DGAT1
SCHEMBL160969 0.82 NPY5R (0.45) ALDH1A1DGAT1KDRAURKAFLT3
SCHEMBL161055 0.81 DGAT1 (0.45) DGAT1KDRAURKAFLT3

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 ALDH1A1 369/4885LMNA 2076/4885DGAT1 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.