SCHEMBL180531

SCHEMBL180531

O=C(O)[C@H]1CCC[C@@H]1C(=O)c1ccc(-c2ccc(-c3cnc(Nc4cccc(Cl)c4)o3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.62
SIRT7 Q9NRC8 1/20 0.51
VCP P55072 2/20 0.46
KDR P35968 4/20 0.44
FLT1 P17948 3/20 0.44
FLT4 P35916 3/20 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
SCHEMBL180533 1.00 DGAT1 (0.62) DGAT1SIRT7VCPKDRFLT1
SCHEMBL180532 1.00 DGAT1 (0.62) DGAT1SIRT7VCPKDRFLT1
SCHEMBL180932 0.98 DGAT1 (0.60) DGAT1SIRT7VCPKDRFLT1
SCHEMBL180931 0.98 DGAT1 (0.60) DGAT1SIRT7VCPKDRFLT1
SCHEMBL180868 0.98 DGAT1 (0.60) DGAT1SIRT7VCPKDRFLT1
SCHEMBL180870 0.87 DGAT1 (0.61) DGAT1SIRT7VCPKDRFLT1
SCHEMBL180651 0.84 DGAT1 (0.68) DGAT1
SCHEMBL1447834 0.84 DGAT1 (0.68) DGAT1
SCHEMBL1722009 0.80 DGAT1 (0.60) DGAT1
SCHEMBL180503 0.78 DGAT1 (0.76) DGAT1SIRT7VCPKDRFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404905-A1 New compounds Novartis AG (CH) 2012-01-11 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-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
US-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
US-20130018074-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
EP-2418202-A1 New compounds Novartis AG (CH) 2012-02-15 EP disclosed
EP-2404905-A1 New compounds Novartis AG (CH) 2012-01-11 EP disclosed
EP-2402318-A1 DGAT inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2301923-A1 New compounds Novartis AG (CH) 2011-03-30 EP disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 US disclosed
US-20090247534-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2009-10-01 US 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
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-20150065517-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885SIRT7 2995/4885VCP 992/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885SIRT7 2995/4885VCP 992/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA DGAT1 1/4885SIRT7 511/4885VCP 1859/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885SIRT7 2961/4885VCP 963/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885SIRT7 2961/4885VCP 963/4885

“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.