SCHEMBL162789

SCHEMBL162789

CCOC(=O)CN1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccccc4Cl)cc3)s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
TEK Q02763 2/20 0.41
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
PTK2 Q05397 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL159031 0.91 DGAT1 (0.49) DGAT1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL162142 0.88 DGAT1 (0.56) DGAT1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL158884 0.88 DDX3X (0.48) DGAT1TP53NPC1RAB9AMEN1
SCHEMBL158368 0.87 DGAT1 (0.49) DGAT1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL159073 0.86 DGAT1 (0.49) DGAT1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL162528 0.85 KDR (0.40) DGAT1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL162210 0.85 SMN1; SMN2 (0.45) SMN1; SMN2TP53NPC1RAB9ATEK
SCHEMBL161899 0.84 DGAT1 (0.51) DGAT1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL163877 0.82 ALDH1A1 (0.41) DGAT1LMNAKDRDRD4ALDH1A1
SCHEMBL160037 0.82 DGAT1 (0.54) DGAT1SMN1; SMN2TP53NPC1RAB9A

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 1/4885SMN1; SMN2 2105/4885TP53 1654/4885

“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.