SCHEMBL180800

SCHEMBL180800

COC(=O)CC1CCC(c2ccc(-c3ncc([N+](=O)[O-])cc3OC)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.47
SOAT1 P35610 3/20 0.41
CCR5 P51681 2/20 0.40
PKM P14618 3/20 0.39
HTT P42858 2/20 0.39
FAAH O00519 1/20 0.39
CHRM2 P08172 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL180743 0.84 DGAT1 (0.45) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL180899 0.82 DGAT1 (0.51) DGAT1SMN1; SMN2
SCHEMBL181139 0.80 DGAT1 (0.49) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL14617027 0.73 DGAT1 (0.56) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL180991 0.73 DGAT1 (0.56) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL13664072 0.73 DGAT1 (0.56) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL183160 0.72 DGAT1 (0.53) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL181024 0.71 DGAT1 (0.48) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL29739398 0.71 MAPT (0.51) PKMHTTKMT2AMEN1MAPT
SCHEMBL4312086 0.71 DGAT1 (0.47) DGAT1SOAT1ALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 1/4885SOAT1 4/4885CCR5 3403/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885SOAT1 4/4885CCR5 3403/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885SOAT1 4/4885CCR5 3443/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885SOAT1 4/4885CCR5 3443/4885

“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.