SCHEMBL180781

SCHEMBL180781

O=C(N[C@@H]1CCCC[C@@H]1C(=O)O)c1ccc(-c2ccc(Nc3cccc(Cl)c3)nn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.61
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.47
CAMK2D Q13557 1/20 0.43
KCNH2 Q12809 1/20 0.43
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
HCK P08631 1/20 0.42
ROS1 P08922 1/20 0.42
PIM1 P11309 1/20 0.42

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
SCHEMBL4591870 1.00 DGAT1 (0.61) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL180744 0.98 DGAT1 (0.61) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL180521 0.80 DGAT1 (0.71) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL181064 0.78 DGAT1 (0.54) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL181063 0.78 DGAT1 (0.54) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL180569 0.77 DGAT1 (0.55) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL180568 0.77 DGAT1 (0.55) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL180660 0.76 DGAT1 (1.00) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL180780 0.76 DGAT1 (0.66) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL12203212 0.75 DGAT1 (0.51) DGAT1NPC1RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065517-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US claimed
US-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US claimed
EP-2418202-A1 New compounds Novartis AG (CH) 2012-02-15 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-20090247534-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2009-10-01 US claimed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO claimed
EP-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 EP claimed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 WO 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
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 (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 1/4885NPC1 17/4885RAB9A 1146/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885NPC1 17/4885RAB9A 1146/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA DGAT1 1/4885NPC1 208/4885RAB9A 2167/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885NPC1 16/4885RAB9A 1089/4885

“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.