SCHEMBL180693

SCHEMBL180693

O=C(O)CC1CCC(c2ccc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
KDM4E B2RXH2 4/20 0.60
MAPK1 P28482 2/20 0.60
NPSR1 Q6W5P4 3/20 0.58
VCP P55072 1/20 0.58
POLB P06746 1/20 0.55
CFTR P13569 2/20 0.52
DGAT1 O75907 6/20 0.51
SOAT1 P35610 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX5 P09917 1/20 0.48

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
SCHEMBL180791 0.88 CYP1A1 (0.54) MAPTPOLBCFTRDGAT1MEN1
SCHEMBL4939728 0.86 DGAT1 (0.56) MAPTDGAT1SOAT1MEN1KMT2A
SCHEMBL14617023 0.84 MEN1 (0.61) MAPTKDM4EDGAT1MEN1KMT2A
SCHEMBL13664061 0.84 MEN1 (0.61) MAPTKDM4EDGAT1MEN1KMT2A
SCHEMBL180959 0.84 MEN1 (0.61) MAPTKDM4EDGAT1MEN1KMT2A
SCHEMBL180967 0.84 DGAT1 (0.51) MAPTKDM4EVCPPOLBCFTR
SCHEMBL4340445 0.83 VCP (0.67) MAPTKDM4EMAPK1NPSR1VCP
SCHEMBL180802 0.82 DGAT1 (0.54) DGAT1SOAT1MEN1KMT2A
SCHEMBL4939307 0.82 DGAT1 (0.50) MAPTNPSR1DGAT1SOAT1MEN1
SCHEMBL4494798 0.82 ALOX5 (0.57) DGAT1SOAT1ALOX5

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065517-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US claimed
US-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US claimed
US-20120238581-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-09-20 US claimed
EP-2418202-A1 New compounds Novartis AG (CH) 2012-02-15 EP claimed
EP-2402320-A1 Anorectic agents Novartis AG (CH) 2012-01-04 EP claimed
EP-2301923-A1 New compounds Novartis AG (CH) 2011-03-30 EP claimed
US-20090247534-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2009-10-01 US claimed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO claimed
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 US claimed
CN-103288721-B (4-(4-[6-(trifluoromethylpyridin-3-base amino)-containing N heteroaryl]-phenyl)-cyclohexyl)-acetogenin and pharmaceutical use thereof NOVARTIS AG (CH) 2016-04-20 CN disclosed
US-20150065517-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912208-B2 (4-{4-[5-(benzooxazol-2-ylamino)-pyridin-2-yl]-phenyl}-cyclohexyl)-acetic acid useful for treating or preventing conditions or disorders associated with DGAT1 activity NOVARTIS AG (CH) 2014-12-16 US disclosed
US-8835451-B2 Compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
EP-2418202-B1 (4-[4-[5-(substituted amino)-pyridin-2-yl]phenyl]-cyclohexyl)-acetic acid derivatives as DGAT inhibitors NOVARTIS AG (CH) 2014-01-29 EP disclosed
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 EP disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO disclosed
EP-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 US disclosed
WO-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 WO disclosed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 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 (5 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-20120238581-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT MAPT 2141/4885KDM4E 3158/4885MAPK1 222/4885
US-20150065517-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 MAPT 1739/4885KDM4E 4045/4885MAPK1 3290/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 MAPT 1739/4885KDM4E 4045/4885MAPK1 3290/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT MAPT 2157/4885KDM4E 3211/4885MAPK1 227/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 MAPT 1622/4885KDM4E 4015/4885MAPK1 3285/4885

“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.