SCHEMBL163045

SCHEMBL163045

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4cc(C)ccc4Cl)cc3)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.47
MAPT P10636 2/20 0.41
NTRK1 P04629 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDR P35968 4/20 0.38
AURKA O14965 1/20 0.38
PDGFRB P09619 1/20 0.38
BRAF P15056 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
SCHEMBL161467 0.91 DGAT1 (0.57) DGAT1MAPTNTRK1NPC1RAB9A
SCHEMBL173286 0.90 KDR (0.49) DGAT1MAPTNPC1RAB9AKDR
SCHEMBL161666 0.89 DGAT1 (0.59) DGAT1MAPTNPC1RAB9AKDR
SCHEMBL162685 0.89 DGAT1 (0.46) DGAT1MAPTNPC1RAB9AKDR
SCHEMBL162624 0.87 MAPT (0.46) DGAT1MAPT
SCHEMBL161468 0.86 DGAT1 (0.42) DGAT1MAPTNTRK1NPC1RAB9A
SCHEMBL160635 0.86 CNR1 (0.50) DGAT1MAPTNPC1RAB9AKDR
SCHEMBL173698 0.85 DGAT1 (0.50) DGAT1MAPTKDR
SCHEMBL161039 0.85 LCK (0.46) DGAT1KDR
SCHEMBL161902 0.84 DGAT1 (0.46) DGAT1MAPTNPC1RAB9AKDR

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 1/4885MAPT 137/4885NTRK1 4473/4885

“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.