SCHEMBL161899

SCHEMBL161899

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.51
POLB P06746 1/20 0.46
HRH3 Q9Y5N1 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
NTRK1 P04629 1/20 0.41
FLT1 P17948 3/20 0.41
KDR P35968 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL159073 0.92 DGAT1 (0.49) DGAT1NTRK1FLT1KDRNPC1
SCHEMBL159031 0.91 DGAT1 (0.49) DGAT1FLT1KDRNPC1RAB9A
SCHEMBL163877 0.91 ALDH1A1 (0.41) DGAT1POLBFLT1KDRLMNA
SCHEMBL162528 0.90 KDR (0.40) DGAT1NTRK1FLT1KDRNPC1
SCHEMBL159643 0.89 DGAT1 (0.57) DGAT1POLBHRH3L3MBTL1PIK3CA
SCHEMBL161358 0.88 DGAT1 (0.52) DGAT1HRH3PIK3CAMTORPIK3CG
SCHEMBL160802 0.87 DGAT1 (0.50) DGAT1POLBHRH3L3MBTL1PIK3CA
SCHEMBL162789 0.84 DGAT1 (0.50) DGAT1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL158884 0.84 DDX3X (0.48) DGAT1NPC1RAB9AALDH1A1
SCHEMBL161432 0.82 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 1/4885POLB 2522/4885HRH3 3032/4885

“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.