SCHEMBL180759

SCHEMBL180759

CC(C)(C)OC(=O)N1CC=C(c2ccc(-c3cnc(Nc4cccc(Cl)c4)o3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.70
MKNK1 Q9BUB5 1/20 0.48
NAMPT P43490 1/20 0.48
SIRT7 Q9NRC8 1/20 0.44
PDK4 Q16654 1/20 0.42
WNT3A P56704 1/20 0.42
VCP P55072 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
GRM5 P41594 3/20 0.41
GRM1 Q13255 3/20 0.41
CYP11B2 P19099 1/20 0.41
CDK7 P50613 1/20 0.41
CDK13 Q14004 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL180813 0.86 DGAT1 (0.79) DGAT1SIRT7VCPFLT1FLT4
SCHEMBL27737390 0.85 DGAT1 (0.63) DGAT1SIRT7VCPFLT1FLT4
SCHEMBL181174 0.85 DGAT1 (0.77) DGAT1NAMPTSIRT7VCPFLT1
SCHEMBL180635 0.84 DGAT1 (0.58) DGAT1MKNK1SIRT7VCPFLT1
SCHEMBL180683 0.84 DGAT1 (0.70) DGAT1NAMPTSIRT7VCPFLT1
SCHEMBL180428 0.82 DGAT1 (1.00) DGAT1NAMPTSIRT7VCPFLT1
SCHEMBL180799 0.82 DGAT1 (0.72) DGAT1NAMPTSIRT7VCPFLT1
SCHEMBL180970 0.78 DGAT1 (0.65) DGAT1MKNK1SIRT7VCPFLT1
SCHEMBL13261659 0.78 PDK4 (0.56) NAMPTPDK4GRM5GRM1CYP11B2
SCHEMBL13275195 0.77 GRM1 (0.49) NAMPTPDK4GRM5GRM1CYP11B2

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 1/4885MKNK1 4271/4885NAMPT 1766/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885MKNK1 4271/4885NAMPT 1766/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885MKNK1 4222/4885NAMPT 1762/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885MKNK1 4222/4885NAMPT 1762/4885

“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.