SCHEMBL180643

SCHEMBL180643

COC(=O)CC1CCC(c2ccc(-c3ccc(Nc4cccc(F)c4)cn3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.57
DHODH Q02127 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SOAT1 P35610 1/20 0.38
CNR2 P34972 1/20 0.38
ADORA2A P29274 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL13664073 0.90 DGAT1 (0.70) DGAT1SOAT1
SCHEMBL14617028 0.90 DGAT1 (0.70) DGAT1SOAT1
SCHEMBL181062 0.90 DGAT1 (0.70) DGAT1SOAT1
SCHEMBL27737386 0.86 DGAT1 (0.51) DGAT1DHODHMEN1NPC1ALDH1A1
SCHEMBL180771 0.86 DGAT1 (0.52) DGAT1SOAT1CNR2
SCHEMBL180810 0.85 DGAT1 (0.56) DGAT1DHODHSOAT1
SCHEMBL180703 0.83 DGAT1 (0.81) DGAT1
SCHEMBL180535 0.79 DGAT1 (0.61) DGAT1SOAT1
SCHEMBL180712 0.79 DGAT1 (0.67) DGAT1SOAT1
SCHEMBL181150 0.79 DGAT1 (0.70) DGAT1DHODHSOAT1

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-2402317-B1 DGAT inhibitor NOVARTIS AG (CH) 2013-07-03 EP claimed
EP-2402317-A1 DGAT inhibitor Novartis AG (CH) 2012-01-04 EP claimed
EP-2402319-B1 DGAT Inhibitors NOVARTIS AG (CH) 2017-08-30 EP disclosed
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
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
EP-2402317-B1 DGAT inhibitor NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-20130018074-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
US-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
EP-2404905-A1 New compounds Novartis AG (CH) 2012-01-11 EP disclosed
EP-2402320-A1 Anorectic agents Novartis AG (CH) 2012-01-04 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-2402319-A1 DGAT Inhibitors 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 1/4885DHODH 372/4885MEN1 3556/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885DHODH 372/4885MEN1 3556/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885DHODH 380/4885MEN1 3555/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885DHODH 380/4885MEN1 3555/4885

“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.