SCHEMBL161946

SCHEMBL161946

CC(C)(O)CC1CCC(c2ncc(-c3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.51
CTSC P53634 1/20 0.37
KDR P35968 4/20 0.35
AURKA O14965 2/20 0.35
FLT3 P36888 2/20 0.35
KIT P10721 1/20 0.35
SLC6A9 P48067 1/20 0.35
CSF1R P07333 1/20 0.35
CNR1 P21554 1/20 0.35
CDK8 P49336 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
SCHEMBL159302 0.89 DGAT1 (0.54) DGAT1CTSC
SCHEMBL163934 0.89 DGAT1 (0.53) DGAT1CTSCKDRAURKAFLT3
SCHEMBL160614 0.88 DGAT1 (0.53) DGAT1CTSCKDRAURKAFLT3
SCHEMBL163439 0.86 DGAT1 (0.55) DGAT1CNR1
SCHEMBL162577 0.86 DGAT1 (0.56) DGAT1KDRAURKAFLT3KIT
SCHEMBL159291 0.84 DGAT1 (0.51) DGAT1CTSCKDRAURKAFLT3
SCHEMBL161469 0.83 DGAT1 (0.49) DGAT1KDRAURKAFLT3KIT
SCHEMBL162084 0.83 DGAT1 (0.71) DGAT1KDRAURKAFLT3KIT
SCHEMBL174097 0.82 DGAT1 (0.58) DGAT1KDRAURKAFLT3KIT
SCHEMBL161818 0.81 DGAT1 (0.53) DGAT1CTSCKDRAURKAFLT3

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 1/4885CTSC 1668/4885KDR 4203/4885

“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.