SCHEMBL161882

SCHEMBL161882

COC(=O)C(C)(C)CCc1ncc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.53
LMNA P02545 3/20 0.45
ALOX5 P09917 2/20 0.45
EPHX2 P34913 2/20 0.45
MAPT P10636 5/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TEK Q02763 3/20 0.43
KIT P10721 1/20 0.43
KDR P35968 1/20 0.43
CNR1 P21554 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 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
SCHEMBL160829 0.91 DGAT1 (0.57) DGAT1LMNAALOX5EPHX2MAPT
SCHEMBL162281 0.91 DGAT1 (0.54) DGAT1LMNAALOX5EPHX2MAPT
SCHEMBL161621 0.89 DGAT1 (0.51) DGAT1MAPTMEN1KMT2ATEK
SCHEMBL162879 0.86 RAB9A (0.44) DGAT1MEN1KMT2ACNR1SMN1; SMN2
SCHEMBL162667 0.85 DGAT1 (0.56) DGAT1LMNAALOX5EPHX2MAPT
SCHEMBL164809 0.85 MAPT (0.42) DGAT1LMNAMAPTTP53MEN1
SCHEMBL161205 0.85 MAPT (0.46) LMNAMAPTTP53MEN1KMT2A
SCHEMBL160684 0.84 DGAT1 (0.49) DGAT1LMNAMAPTTP53MEN1
SCHEMBL162252 0.84 DGAT1 (0.48) DGAT1LMNAALOX5EPHX2MAPT
SCHEMBL159242 0.84 DGAT1 (0.51) DGAT1MAPTTP53KDRSMN1; SMN2

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 1/4885LMNA 2076/4885ALOX5 208/4885

“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.