SCHEMBL180650

SCHEMBL180650

O=C(O)[C@H]1CCC[C@@H]1C(=O)c1ccc(-c2cnc(Nc3cccc(F)c3)nc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.69
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
PDPK1 O15530 1/20 0.44
TBK1 Q9UHD2 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
SCHEMBL1447834 0.89 DGAT1 (0.68) DGAT1CSNK2A2CSNK2BCSNK2A1
SCHEMBL180651 0.89 DGAT1 (0.68) DGAT1CSNK2A2CSNK2BCSNK2A1
SCHEMBL1448287 0.85 DGAT1 (0.50) DGAT1CSNK2A2CSNK2BCSNK2A1PDPK1
SCHEMBL4892114 0.82 DGAT1 (1.00) DGAT1
SCHEMBL1446964 0.74 HDAC3 (0.50) DGAT1CSNK2A2CSNK2BCSNK2A1
SCHEMBL180532 0.73 DGAT1 (0.62) DGAT1
SCHEMBL180531 0.73 DGAT1 (0.62) DGAT1
SCHEMBL180533 0.73 DGAT1 (0.62) DGAT1
SCHEMBL4916293 0.72 DGAT1 (0.77) DGAT1
SCHEMBL180770 0.72 HDAC3 (0.46) CSNK2A2CSNK2BCSNK2A1TBK1

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 21 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-20130018074-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
US-20130018054-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-2402319-A1 DGAT Inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402320-A1 Anorectic agents Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402317-A1 DGAT inhibitor 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
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-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 1/4885CSNK2A2 3229/4885CSNK2B 3672/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885CSNK2A2 3229/4885CSNK2B 3672/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA DGAT1 1/4885CSNK2A2 1885/4885CSNK2B 2271/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885CSNK2A2 3175/4885CSNK2B 3608/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885CSNK2A2 3175/4885CSNK2B 3608/4885

“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.