SCHEMBL180882

SCHEMBL180882

O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc(Br)nc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
TRPV1 Q8NER1 1/20 0.52
KCNQ3 O43525 5/20 0.51
KCNQ2 O43526 5/20 0.51
KCNE1 P15382 5/20 0.51
KCNQ1 P51787 5/20 0.51
PTPN1 P18031 1/20 0.48
P4HTM Q9NXG6 1/20 0.46
BACE1 P56817 1/20 0.45

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
SCHEMBL3817443 0.85 P4HTM (0.63) SLC6A3KCNH2TAAR1TRPV1KCNQ3
SCHEMBL3227445 0.81 P4HTM (0.67) KCNQ3KCNQ2KCNE1KCNQ1PTPN1
SCHEMBL4504526 0.80 NPC1 (0.65) SLC6A3KCNH2TAAR1TRPV1PTPN1
SCHEMBL18048931 0.78 LMNA (0.64)
SCHEMBL5218095 0.78 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL30516118 0.78 HDAC6 (0.56) SLC6A3KCNH2TAAR1TRPV1
SCHEMBL29045114 0.78 HDAC6 (0.56) SLC6A3KCNH2TAAR1TRPV1
SCHEMBL181010 0.78 ABL1 (0.46) TRPV1
SCHEMBL1250540 0.77 KCNQ3 (0.51) TRPV1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22236263 0.77 SLC6A3 (0.48) SLC6A3KCNH2TAAR1TRPV1KCNQ3

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 18 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
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
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-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

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 SLC6A3 399/4885KCNH2 2998/4885TAAR1 2335/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 SLC6A3 399/4885KCNH2 2998/4885TAAR1 2335/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 SLC6A3 367/4885KCNH2 3008/4885TAAR1 2317/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 SLC6A3 367/4885KCNH2 3008/4885TAAR1 2317/4885

“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.