SCHEMBL159643

SCHEMBL159643

O=C(O)CN1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)s2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.57
HRH3 Q9Y5N1 3/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
PIK3CG P48736 1/20 0.45
HTT P42858 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
DRD4 P21917 1/20 0.42
EPHX2 P34913 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL164644 0.91 DGAT1 (0.56) DGAT1CA12CA1CA2CA9
SCHEMBL159576 0.90 DGAT1 (0.45) DGAT1DRD4EPHX2ALDH1A1
SCHEMBL159317 0.90 DGAT1 (0.56) DGAT1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL161965 0.89 DGAT1 (0.44) DGAT1EPHX2CA12CA1CA2
SCHEMBL161899 0.89 DGAT1 (0.51) DGAT1HRH3PIK3CAMTORPIK3CG
SCHEMBL161999 0.86 DGAT1 (0.58) DGAT1HRH3PIK3CAMTORPIK3CG
SCHEMBL164065 0.86 DGAT1 (0.56) DGAT1HRH3PIK3CAMTORPIK3CG
SCHEMBL164728 0.86 DGAT1 (0.56) DGAT1HRH3PIK3CAMTORPIK3CG
SCHEMBL164677 0.85 DGAT1 (0.73) DGAT1PIK3CAMTORPIK3CGHTT
SCHEMBL161432 0.85 DGAT1 (0.55) DGAT1HRH3PIK3CAMTORPIK3CG

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 1/4885HRH3 3032/4885PIK3CA 1213/4885

“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.