SCHEMBL164644

SCHEMBL164644

O=C(O)CN1CCC(c2ncc(-c3ccc(NC(=O)Nc4cc(F)c(F)cc4F)cc3)s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.56
TRPV1 Q8NER1 3/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CTSC P53634 1/20 0.38
AURKA O14965 2/20 0.37
KDR P35968 2/20 0.37
FLT3 P36888 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
NTRK1 P04629 1/20 0.36
P2RY1 P47900 1/20 0.36
CCR3 P51677 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 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
SCHEMBL159643 0.91 DGAT1 (0.57) DGAT1CA12CA1CA2CA9
SCHEMBL159317 0.90 DGAT1 (0.56) DGAT1TRPV1ITGB1ITGA4KDR
SCHEMBL161965 0.89 DGAT1 (0.44) DGAT1TRPV1ITGB1ITGA4CA12
SCHEMBL159073 0.88 DGAT1 (0.49) DGAT1AURKAKDRFLT3NTRK1
SCHEMBL159576 0.88 DGAT1 (0.45) DGAT1TRPV1AURKAKDRFLT3
SCHEMBL162202 0.86 DGAT1 (0.57) DGAT1CA12CA1CA2CA9
SCHEMBL163321 0.85 DGAT1 (0.55) DGAT1TRPV1CA12CA1CA2
SCHEMBL160147 0.85 DGAT1 (0.55) DGAT1TRPV1CA12CA1CA2
SCHEMBL173959 0.85 DGAT1 (0.60) DGAT1CA12CA1CA2CA9
SCHEMBL165743 0.84 DGAT1 (0.73) DGAT1CA12CA1CA2CA9

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 1/4885TRPV1 2426/4885ITGB1 4167/4885

“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.