SCHEMBL180949

SCHEMBL180949

CC1(C)OB(c2ccc(-c3cnc(Nc4cccc(Cl)c4)o3)cc2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT7 Q9NRC8 1/20 0.56
DGAT1 O75907 2/20 0.54
EGFR P00533 2/20 0.53
KDR P35968 9/20 0.50
FLT1 P17948 8/20 0.50
FLT4 P35916 8/20 0.50
VCP P55072 2/20 0.50
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
IMPDH2 P12268 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL15878915 0.82 KDR (0.63) KDRFLT1FLT4VCPLPL
SCHEMBL180766 0.79 SIRT7 (0.65) SIRT7DGAT1KDRFLT1FLT4
SCHEMBL22405004 0.77 EGFR (0.58) EGFRKDR
SCHEMBL180361 0.72 DGAT1 (0.81) SIRT7DGAT1KDRFLT1FLT4
SCHEMBL180836 0.71 DGAT1 (0.56) SIRT7DGAT1KDRFLT1FLT4
SCHEMBL577407 0.71 SIRT7 (0.55) SIRT7DGAT1KDRFLT1FLT4
SCHEMBL31149481 0.70 LPL (0.53) DGAT1LPLLIPG
SCHEMBL181030 0.70 DGAT1 (1.00) SIRT7DGAT1KDRFLT1FLT4
SCHEMBL180699 0.69 DGAT1 (0.64) SIRT7DGAT1KDRFLT1FLT4
SCHEMBL180503 0.69 DGAT1 (0.76) SIRT7DGAT1EGFRKDRFLT1

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 14 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

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 SIRT7 2995/4885DGAT1 1/4885EGFR 4495/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 SIRT7 2995/4885DGAT1 1/4885EGFR 4495/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 SIRT7 2961/4885DGAT1 1/4885EGFR 4483/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 SIRT7 2961/4885DGAT1 1/4885EGFR 4483/4885

“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.