SCHEMBL180474

SCHEMBL180474

FC(F)(F)c1ccc(Nc2ccc(Br)cn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
EPHX2 P34913 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
SLC22A11 Q9NSA0 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 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
SCHEMBL26107386 0.81 ABL1 (0.48) ABL1BCREPHX2TRPV4KDM4E
SCHEMBL180993 0.81 ABL1 (0.48) ABL1BCREPHX2TRPV4CYP2C9
SCHEMBL133375 0.81 TRPV4 (0.58) TRPV4KDM4EALDH1A1ATML3MBTL1
SCHEMBL22452592 0.81 CHRNB4 (0.51) ABL1BCRKDM4EGAA
SCHEMBL3872115 0.78 MEN1 (0.55) MEN1KMT2AALOX12ALDH1A1NPC1
SCHEMBL28403065 0.77 RAB9A (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL29501850 0.77 RAB9A (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL181010 0.77 ABL1 (0.46) ABL1BCREPHX2TRPV4CYP2C9
SCHEMBL29686705 0.76 NNMT (0.50) ABL1BCRKDM4EALDH1A1
SCHEMBL2599920 0.75 NPC1 (0.52) KDM4EMEN1KMT2AALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-2402319-A1 DGAT Inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402320-A1 Anorectic agents Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402318-A1 DGAT inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402317-A1 DGAT inhibitor 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
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-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 ABL1 3908/4885BCR 2341/4885EPHX2 1740/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 ABL1 3908/4885BCR 2341/4885EPHX2 1740/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 ABL1 3870/4885BCR 2558/4885EPHX2 1765/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 ABL1 3870/4885BCR 2558/4885EPHX2 1765/4885

“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.