SCHEMBL180770

SCHEMBL180770

CC(C)(CC(=O)c1ccc(-c2cnc(Nc3cccc(F)c3)nc2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
CSNK2A1 P68400 2/20 0.46
MAPT P10636 2/20 0.44
CDC7 O00311 2/20 0.43
CDK19 Q9BWU1 1/20 0.43
CNR2 P34972 1/20 0.43
TP53 P04637 1/20 0.43
SYK P43405 3/20 0.43
GSK3B P49841 2/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
FLT3 P36888 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43

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
SCHEMBL13664062 0.80 CYP1A2 (0.56) CSNK2A1MAPT
SCHEMBL1723735 0.80 CNR2 (0.45) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL29818135 0.73 NPC1 (0.63) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL180650 0.72 DGAT1 (0.69) CSNK2A1TBK1CSNK2A2CSNK2B
SCHEMBL1448287 0.72 DGAT1 (0.50) HDAC3HDAC1HDAC2HDAC6CSNK2A1
SCHEMBL16546762 0.72 DGAT1 (0.64)
SCHEMBL13664059 0.72 DGAT1 (0.64)
SCHEMBL180787 0.72 DGAT1 (0.64)
SCHEMBL180699 0.72 DGAT1 (0.64) PIK3CG
SCHEMBL18560419 0.71 SLC22A12 (0.44) HDAC1HDAC6MAPT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101415683-B Novel compounds NOVARTIS AG 2013-07-17 CN claimed
EP-2404905-A1 New compounds Novartis AG (CH) 2012-01-11 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
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
CN-101415683-B Novel compounds NOVARTIS AG 2013-07-17 CN disclosed
US-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
CN-101600437-A method for preventing or treating myocardial ischemia NOVARTIS AG (CH) 2009-12-09 CN disclosed
US-20090247534-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2009-10-01 US disclosed
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 EP 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 HDAC3 1069/4885HDAC1 683/4885HDAC2 967/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 HDAC3 1069/4885HDAC1 683/4885HDAC2 967/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 HDAC3 973/4885HDAC1 615/4885HDAC2 917/4885

“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.