SCHEMBL174097

SCHEMBL174097

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)s2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.58
KDR P35968 7/20 0.38
BRAF P15056 1/20 0.38
AURKA O14965 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
ROS1 P08922 1/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL160673 0.93 DGAT1 (0.49) DGAT1KDRAURKAROCK2MAP4K4
SCHEMBL163741 0.90 DGAT1 (0.48) DGAT1KDRFGFR1FLT1MAPT
SCHEMBL162084 0.89 DGAT1 (0.71) DGAT1KDRBRAFAURKAFLT3
SCHEMBL161308 0.88 DGAT1 (0.61) DGAT1KDRNTRK1MAPTPDGFRA
SCHEMBL162685 0.88 DGAT1 (0.46) DGAT1KDRAURKAFLT3MAPT
SCHEMBL161939 0.88 DGAT1 (0.56) DGAT1KDRAURKAFLT3KIT
SCHEMBL162577 0.88 DGAT1 (0.56) DGAT1KDRAURKAROCK2FLT3
SCHEMBL160661 0.88 DGAT1 (0.59) DGAT1KDRBRAFNTRK1MAPT
SCHEMBL174112 0.88 DGAT1 (0.48) DGAT1KDRAURKAFLT3ERBB4
SCHEMBL160635 0.87 CNR1 (0.50) DGAT1KDRAURKAFLT3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US 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 1/4885KDR 4203/4885BRAF 3066/4885

“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.