SCHEMBL180572

SCHEMBL180572

O=C(O)CC1CCC(c2ccc(-c3ccc(Nc4cccc(F)c4)nn3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
DGAT1 O75907 19/20 0.50
SOAT1 P35610 2/20 0.45

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
SCHEMBL180704 0.89 DGAT1 (0.55) DGAT1SOAT1
SCHEMBL180833 0.89 DGAT1 (0.52) DGAT1SOAT1
SCHEMBL14617040 0.89 DGAT1 (0.58) DGAT1SOAT1
SCHEMBL13664083 0.89 DGAT1 (0.58) DGAT1SOAT1
SCHEMBL15445191 0.89 DGAT1 (0.58) DGAT1SOAT1
SCHEMBL180850 0.89 DGAT1 (0.58) DGAT1SOAT1
SCHEMBL180937 0.88 DGAT1 (0.58) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL180802 0.88 DGAT1 (0.54) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL15062884 0.87 DGAT1 (0.59) DGAT1SOAT1
SCHEMBL4058562 0.86 DGAT1 (0.49) MEN1NPC1ALDH1A1RAB9AKMT2A

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 34 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
CN-101415683-B Novel compounds NOVARTIS AG 2013-07-17 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-2402318-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
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
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 disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO 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-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 WO 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 MEN1 3556/4885NPC1 17/4885ALDH1A1 152/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 MEN1 3556/4885NPC1 17/4885ALDH1A1 152/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 MEN1 3555/4885NPC1 16/4885ALDH1A1 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.