SCHEMBL180744

SCHEMBL180744

O=C(N[C@@H]1CCC[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
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 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 0.41
F10 P00742 1/20 0.41
GRM5 P41594 4/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
HCK P08631 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
SCHEMBL180781 0.98 DGAT1 (0.61) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4591870 0.98 DGAT1 (0.61) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL180521 0.80 DGAT1 (0.71) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL180569 0.77 DGAT1 (0.55) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL180568 0.77 DGAT1 (0.55) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL181064 0.76 DGAT1 (0.54) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL181063 0.76 DGAT1 (0.54) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL180660 0.76 DGAT1 (1.00) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL180780 0.76 DGAT1 (0.66) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL181070 0.74 DGAT1 (0.64) DGAT1ALDH1A1NPC1RAB9ACAMK2D

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-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-2402317-A1 DGAT inhibitor Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402318-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-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 1/4885ALDH1A1 152/4885NPC1 17/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885ALDH1A1 152/4885NPC1 17/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA DGAT1 1/4885ALDH1A1 532/4885NPC1 208/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885ALDH1A1 140/4885NPC1 16/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885ALDH1A1 140/4885NPC1 16/4885

“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.