SCHEMBL609356

SCHEMBL609356

Cc1nc2ncnn2c(N)c1C#CC(O)(c1ccccc1)C1(C)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.40
MBOAT4 Q96T53 12/20 0.37
ENPP1 P22413 1/20 0.35
TSHR P16473 3/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL611382 0.82 MBOAT4 (0.42) MBOAT4ENPP1MAPTMAPK1
SCHEMBL11889953 0.79 MBOAT4 (0.42) MBOAT4
SCHEMBL609857 0.79 MBOAT4 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL11889942 0.78 MBOAT4 (0.40) MBOAT4TSHRHSD17B10
SCHEMBL612381 0.78 MBOAT4 (0.44) MBOAT4
SCHEMBL610007 0.74 MBOAT4 (0.39) ALDH1A1MBOAT4
SCHEMBL609935 0.74 MBOAT4 (0.39) ALDH1A1MBOAT4
SCHEMBL610725 0.74 MBOAT4 (0.40) MBOAT4ENPP1MAPTMAPK1
SCHEMBL612365 0.73 MBOAT4 (0.37) MEN1KMT2AMBOAT4
SCHEMBL611240 0.73 MBOAT4 (0.40) MBOAT4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557828-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2013-10-15 US claimed
EP-2142552-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2012-08-01 EP claimed
US-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2012-02-16 US claimed
US-8076344-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES (US) 2011-12-13 US claimed
EP-2142552-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP claimed
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-11-27 US claimed
WO-2008134690-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 WO claimed
US-8557828-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2013-10-15 US disclosed
EP-2500347-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme Abbott Laboratories (US) 2012-09-19 EP disclosed
EP-2142552-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2012-08-01 EP disclosed
US-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2012-02-16 US disclosed
US-8076344-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES (US) 2011-12-13 US disclosed
EP-2142552-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP disclosed
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-11-27 US disclosed
WO-2008134690-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 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 (2 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-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT MEN1 3241/4885KMT2A 1194/4885ALDH1A1 220/4885
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme DGAT1, DGAT2, LCAT MEN1 3241/4885KMT2A 1194/4885ALDH1A1 220/4885

“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.