SCHEMBL181010

SCHEMBL181010

FC(F)(F)c1ccc(Nc2ccc(Br)nc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
TRPV4 Q9HBA0 1/20 0.46
EPHX2 P34913 1/20 0.45
CYP2C9 P11712 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
SLC22A11 Q9NSA0 1/20 0.42
APP P05067 1/20 0.41
DGAT1 O75907 2/20 0.39
FDFT1 P37268 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
CYP26A1 O43174 2/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 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
SCHEMBL180993 0.83 ABL1 (0.48) ABL1BCRTRPV4EPHX2CYP2C9
SCHEMBL17396429 0.80 ABL1 (0.50) ABL1BCRTRPV4EPHX2CYP2C9
SCHEMBL22212784 0.80 CYP2C9 (0.50) ABL1BCRTRPV4EPHX2CYP2C9
SCHEMBL180882 0.78 SLC6A3 (0.54) TRPV1
SCHEMBL180474 0.77 ABL1 (0.48) ABL1BCRTRPV4EPHX2CYP2C9
SCHEMBL20172479 0.76 KIF11 (0.58) ABL1BCRTRPV4EPHX2CYP2C9
SCHEMBL20406647 0.74 TRPV1 (0.48) ABL1BCREPHX2TRPV1
SCHEMBL23634792 0.73 KIF11 (0.63) APP
SCHEMBL2216854 0.73 TRPV4 (0.52) ABL1BCRTRPV4EPHX2CYP2C9
SCHEMBL24497681 0.73 TRPV4 (0.52) ABL1BCRTRPV4EPHX2CYP2C9

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 2341/4885TRPV4 2908/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 ABL1 3908/4885BCR 2341/4885TRPV4 2908/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 ABL1 3870/4885BCR 2558/4885TRPV4 2821/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 ABL1 3870/4885BCR 2558/4885TRPV4 2821/4885

“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.