SCHEMBL180686

SCHEMBL180686

O=C(O)CC1CCC(c2ccc(-c3csc(Nc4ccccc4Cl)n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
KMT2A Q03164 1/20 0.50
RELA Q04206 1/20 0.50
ALOX5 P09917 1/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
KDM1A O60341 1/20 0.45
MAPT P10636 1/20 0.44
TRPC3 Q13507 1/20 0.44
TRPC6 Q9Y210 1/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL4942376 0.89 DGAT1 (0.53) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL4933344 0.89 DGAT1 (0.50) DGAT1NPC1RAB9AALDH1A1MEN1
SCHEMBL27769403 0.88 DGAT1 (0.52) DGAT1RAB9A
SCHEMBL4939307 0.86 DGAT1 (0.50) DGAT1MEN1KMT2AMAPT
SCHEMBL4939205 0.84 ALOX5 (0.56) DGAT1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4494798 0.83 ALOX5 (0.57) DGAT1ALOX5
SCHEMBL4939728 0.83 DGAT1 (0.56) DGAT1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27790777 0.82 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL180791 0.79 CYP1A1 (0.54) DGAT1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL27737368 0.79 DGAT1 (0.52) DGAT1

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 45 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
CN-101415683-B Novel compounds NOVARTIS AG 2013-07-17 CN claimed
CN-103086981-A New compounds NOVARTIS AG 2013-05-08 CN 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
CN-101636155-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-01-27 CN 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
CN-101415683-A Novel compounds NOVARTIS AG (CH) 2009-04-22 CN 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
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 DGAT1 1/4885NPC1 106/4885RAB9A 2009/4885
US-20150065517-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885NPC1 17/4885RAB9A 1146/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885NPC1 17/4885RAB9A 1146/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT DGAT1 1/4885NPC1 106/4885RAB9A 2008/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885NPC1 16/4885RAB9A 1089/4885

“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.