SCHEMBL173788

SCHEMBL173788

O=COC1CCC(c2ncc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.45
TEK Q02763 3/20 0.45
MET P08581 2/20 0.45
PDGFRB P09619 2/20 0.45
KIT P10721 2/20 0.45
EGFR P00533 1/20 0.45
IGF1R P08069 1/20 0.45
FGFR1 P11362 1/20 0.45
BRAF P15056 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR4 P22455 1/20 0.45
FLT4 P35916 1/20 0.45
EPHB4 P54760 1/20 0.45
CDK8 P49336 2/20 0.45
AURKA O14965 1/20 0.43
FLT3 P36888 1/20 0.43
CNR1 P21554 1/20 0.43
DGAT1 O75907 3/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 5/20 0.42

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
SCHEMBL174659 0.92 CNR1 (0.49) KDRAURKAFLT3CNR1DGAT1
SCHEMBL163071 0.89 DGAT1 (0.44) KDRTEKPDGFRBKITEGFR
SCHEMBL162781 0.88 DGAT1 (0.47) KDRTEKEPHB4CNR1DGAT1
SCHEMBL162339 0.88 MAPT (0.42) KDRAURKAFLT3CNR1DGAT1
SCHEMBL160007 0.88 DGAT1 (0.52) KDRTEKKITEGFRBRAF
SCHEMBL174149 0.86 DGAT1 (0.55) KDRTEKKITEPHB4CNR1
SCHEMBL162085 0.86 DGAT1 (0.53) KDRTEKMETPDGFRBKIT
SCHEMBL15022225 0.86 NTRK1 (0.41) KDRBRAFCNR1DGAT1LMNA
SCHEMBL162707 0.85 DGAT1 (0.44) KDRTEKEGFREPHB4AURKA
SCHEMBL165053 0.85 DGAT1 (0.42) KDRTEKEGFREPHB4CNR1

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 3 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 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 4203/4885TEK 3387/4885MET 4387/4885

“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.