SCHEMBL163214

SCHEMBL163214

CC(C)(CCc1ncc(-c2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)s1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
TRPV1 Q8NER1 4/20 0.44
ALOX15 P16050 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 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
SCHEMBL164667 0.91 KMT2A (0.45) NPC1MEN1MAPTKMT2ARAB9A
SCHEMBL161878 0.82 DGAT1 (0.52) MAPT
SCHEMBL174042 0.82 CNR1 (0.43) NPC1MEN1KMT2ARAB9ACA12
SCHEMBL159430 0.81 DGAT1 (0.43)
SCHEMBL162024 0.81 MAPT (0.46) NPC1MEN1MAPTKMT2ARAB9A
SCHEMBL166036 0.81 DGAT1 (0.59) NPC1MEN1MAPTKMT2ARAB9A
SCHEMBL158731 0.80 DGAT1 (0.54) MAPTCA12CA1CA2CA9
SCHEMBL162878 0.79 EPHX1 (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL161303 0.78 DGAT1 (0.56) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL160829 0.78 DGAT1 (0.57) NPC1MEN1MAPTKMT2ARAB9A

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 NPC1 86/4885MEN1 2803/4885MAPT 137/4885

“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.