SCHEMBL180593

SCHEMBL180593

CC(C)Cc1cc(C(=O)Nc2ccc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)nc2)no1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.56
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL180675 0.90 DGAT1 (0.59) DGAT1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL180640 0.87 DGAT1 (0.58) DGAT1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL180680 0.81 DGAT1 (0.56) DGAT1
SCHEMBL181043 0.81 DGAT1 (0.60) DGAT1RAB9AALDH1A1NPC1TP53
SCHEMBL180618 0.80 DGAT1 (0.67) DGAT1
SCHEMBL180908 0.80 DGAT1 (0.57) DGAT1
SCHEMBL180661 0.79 DGAT1 (0.58) DGAT1
SCHEMBL181104 0.79 DGAT1 (0.56) DGAT1
SCHEMBL180846 0.79 DGAT1 (0.60) DGAT1
SCHEMBL14617033 0.78 DGAT1 (0.66) DGAT1

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 37 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
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 claimed
CN-103288721-A (4-(4-[6-(trifluoromethyl-pyridin-3-ylamino)-n-containing-heteroaryl]-phenyl)-cyclohexyl)-acetic acid derivatives and pharmaceutical uses thereof NOVARTIS AG 2013-09-11 CN claimed
CN-103086981-A New compounds NOVARTIS AG 2013-05-08 CN 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-2402319-A1 DGAT Inhibitors Novartis AG (CH) 2012-01-04 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
CN-101415683-A Novel compounds NOVARTIS AG (CH) 2009-04-22 CN 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
EP-2301923-B1 PYRIDINE DERIVATIVES AS DGAT INHIBITORS NOVARTIS AG (CH) 2016-06-08 EP disclosed
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
CN-101415683-A Novel compounds NOVARTIS AG (CH) 2009-04-22 CN 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 (3 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 1/4885RAB9A 1146/4885ALDH1A1 152/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885RAB9A 1146/4885ALDH1A1 152/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885RAB9A 1089/4885ALDH1A1 140/4885

“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.