SCHEMBL180791

SCHEMBL180791

O=C(O)CC1CCC(c2ccc(-c3csc(Nc4cccc(F)c4)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.54
CYP1A2 P05177 4/20 0.54
CYP1B1 Q16678 4/20 0.54
DGAT1 O75907 9/20 0.53
NPY5R Q15761 1/20 0.48
CFTR P13569 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5 P09917 1/20 0.46

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
SCHEMBL4939728 0.89 DGAT1 (0.56) DGAT1MEN1ALDH1A1MAPTKMT2A
SCHEMBL180693 0.88 MAPT (0.60) DGAT1CFTRMEN1POLBMAPT
SCHEMBL14617023 0.86 MEN1 (0.61) CYP1A1CYP1A2CYP1B1DGAT1MEN1
SCHEMBL180967 0.86 DGAT1 (0.51) DGAT1CFTRMEN1NPC1ALDH1A1
SCHEMBL180959 0.86 MEN1 (0.61) CYP1A1CYP1A2CYP1B1DGAT1MEN1
SCHEMBL13664061 0.86 MEN1 (0.61) CYP1A1CYP1A2CYP1B1DGAT1MEN1
SCHEMBL4494798 0.84 ALOX5 (0.57) CYP1A1CYP1A2CYP1B1DGAT1ALOX5
SCHEMBL15062884 0.84 DGAT1 (0.59) DGAT1
SCHEMBL4942376 0.83 DGAT1 (0.53) DGAT1NPY5RMEN1NPC1RAB9A
SCHEMBL4939205 0.83 ALOX5 (0.56) CYP1A1CYP1A2CYP1B1DGAT1MEN1

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 38 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
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-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
CN-103288721-B (4-(4-[6-(trifluoromethylpyridin-3-base amino)-containing N heteroaryl]-phenyl)-cyclohexyl)-acetogenin and pharmaceutical use thereof NOVARTIS AG (CH) 2016-04-20 CN 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
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 CYP1A1 1824/4885CYP1A2 1814/4885CYP1B1 1238/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 CYP1A1 1824/4885CYP1A2 1814/4885CYP1B1 1238/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 CYP1A1 1780/4885CYP1A2 1773/4885CYP1B1 1264/4885

“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.