SCHEMBL180980

SCHEMBL180980

O=C(C=CCC1CCC(c2ccc(-c3cnc(Nc4cccc(Cl)c4)o3)cc2)CC1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.51
KDR P35968 6/20 0.43
FLT1 P17948 5/20 0.43
FLT4 P35916 5/20 0.43
SIRT7 Q9NRC8 1/20 0.41
VCP P55072 2/20 0.40
HCAR2 Q8TDS4 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL180979 1.00 DGAT1 (0.51) DGAT1KDRFLT1FLT4SIRT7
SCHEMBL16546761 0.88 DGAT1 (0.55) DGAT1KDRFLT1FLT4SIRT7
SCHEMBL180694 0.88 DGAT1 (0.55) DGAT1KDRFLT1FLT4SIRT7
SCHEMBL180695 0.88 DGAT1 (0.55) DGAT1KDRFLT1FLT4SIRT7
SCHEMBL13664065 0.88 DGAT1 (0.55) DGAT1KDRFLT1FLT4SIRT7
SCHEMBL180938 0.82 DGAT1 (0.54) DGAT1KDRFLT1FLT4SIRT7
SCHEMBL16546760 0.81 DGAT1 (0.64) DGAT1KDRFLT1FLT4SIRT7
SCHEMBL14617025 0.81 DGAT1 (0.64) DGAT1KDRFLT1FLT4SIRT7
SCHEMBL180807 0.81 DGAT1 (0.64) DGAT1KDRFLT1FLT4SIRT7
SCHEMBL180696 0.80 DGAT1 (0.64) DGAT1KDRFLT1FLT4SIRT7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-2402318-A1 DGAT inhibitors 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-20090247534-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2009-10-01 US 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 (4 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 1/4885KDR 4520/4885FLT1 4808/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885KDR 4520/4885FLT1 4808/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885KDR 4537/4885FLT1 4813/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885KDR 4537/4885FLT1 4813/4885

“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.