SCHEMBL161055

SCHEMBL161055

CC(C(=O)O)N1CCC(c2ncc(-c3ccc(NC(=O)Nc4c(F)cc(F)cc4F)cc3)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.45
KDR P35968 2/20 0.40
FLT3 P36888 2/20 0.40
AURKA O14965 1/20 0.40
TRPV1 Q8NER1 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
KIT P10721 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL164728 0.90 DGAT1 (0.56) DGAT1
SCHEMBL161574 0.89 DGAT1 (0.40) DGAT1KDRFLT3AURKATRPV1
SCHEMBL163321 0.88 DGAT1 (0.55) DGAT1KDRFLT3AURKATRPV1
SCHEMBL161576 0.86 DGAT1 (0.55) DGAT1KDRFLT3AURKATRPV1
SCHEMBL162248 0.86 DGAT1 (0.45) DGAT1KDRFLT3AURKATRPV1
SCHEMBL160969 0.85 NPY5R (0.45) DGAT1KDRFLT3AURKA
SCHEMBL159576 0.85 DGAT1 (0.45) DGAT1KDRFLT3AURKATRPV1
SCHEMBL162204 0.83 DGAT1 (0.41) DGAT1KDRFLT3AURKATRPV1
SCHEMBL160846 0.82 PTPN2 (0.46) DGAT1
SCHEMBL162160 0.82 DGAT1 (0.42) DGAT1KDRFLT3AURKATRPV1

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 1/4885KDR 4203/4885FLT3 4106/4885

“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.