SCHEMBL162242

SCHEMBL162242

O=C(O)CN1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.49
DDX3X O00571 4/20 0.45
WNT3A P56704 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
KDR P35968 2/20 0.42
FLT3 P36888 2/20 0.42
PLK4 O00444 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
LCK P06239 1/20 0.42
CSF1R P07333 1/20 0.42
ROS1 P08922 1/20 0.42

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
SCHEMBL158884 0.89 DDX3X (0.48) DGAT1DDX3XWNT3ATRPV1KDM4E
SCHEMBL159317 0.89 DGAT1 (0.56) DGAT1DDX3XTRPV1MEN1NPC1
SCHEMBL162142 0.87 DGAT1 (0.56) DGAT1TRPV1KDM4EMEN1NPC1
SCHEMBL159539 0.85 DGAT1 (0.57) DGAT1DDX3XTRPV1KDM4EMEN1
SCHEMBL164644 0.84 DGAT1 (0.56) DGAT1TRPV1KDRFLT3
SCHEMBL161965 0.83 DGAT1 (0.44) DGAT1TRPV1KDRFLT3
SCHEMBL159643 0.82 DGAT1 (0.57) DGAT1NPC1ALDH1A1RAB9A
SCHEMBL158660 0.81 DGAT1 (0.49) DGAT1DDX3XKDM4EMEN1NPC1
SCHEMBL159540 0.81 DGAT1 (0.45) DGAT1DDX3XTRPV1KDM4EMEN1
SCHEMBL159576 0.80 DGAT1 (0.45) DGAT1TRPV1ALDH1A1KDRFLT3

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 1/4885DDX3X 3177/4885WNT3A 3074/4885

“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.