SCHEMBL180836

SCHEMBL180836

Clc1cccc(Nc2ncc(-c3ccc(C4=CCNCC4)cc3)o2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.56
SIRT7 Q9NRC8 1/20 0.55
HTR2C P28335 3/20 0.52
VCP P55072 3/20 0.52
KDR P35968 6/20 0.48
FLT1 P17948 5/20 0.48
FLT4 P35916 5/20 0.48
SIGMAR1 Q99720 1/20 0.45
MAPKAPK2 P49137 1/20 0.44
IMPDH2 P12268 1/20 0.40
SOS1 Q07889 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
Tert-Butyl Formate SCHEMBL27737391 0.89 DGAT1 (0.49) DGAT1SIRT7HTR2CVCPKDR
SCHEMBL180766 0.78 SIRT7 (0.65) DGAT1SIRT7VCPKDRFLT1
SCHEMBL180970 0.76 DGAT1 (0.65) DGAT1SIRT7VCPKDRFLT1
SCHEMBL180813 0.75 DGAT1 (0.79) DGAT1SIRT7VCPKDRFLT1
SCHEMBL577406 0.75 SIRT7 (0.53) DGAT1SIRT7VCPKDRFLT1
SCHEMBL577407 0.72 SIRT7 (0.55) DGAT1SIRT7VCPKDRFLT1
SCHEMBL180428 0.72 DGAT1 (1.00) DGAT1SIRT7VCPKDRFLT1
SCHEMBL180799 0.72 DGAT1 (0.72) DGAT1SIRT7VCPKDRFLT1
SCHEMBL180759 0.72 DGAT1 (0.70) DGAT1SIRT7VCPKDRFLT1
SCHEMBL27737390 0.72 DGAT1 (0.63) DGAT1SIRT7VCPKDRFLT1

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 16 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
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
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 DGAT1 1/4885SIRT7 2995/4885HTR2C 3341/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885SIRT7 2995/4885HTR2C 3341/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885SIRT7 2961/4885HTR2C 3412/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885SIRT7 2961/4885HTR2C 3412/4885

“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.