SCHEMBL180899

SCHEMBL180899

COC(=O)CC1CCC(c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.51
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL180547 0.83 DGAT1 (0.54) DGAT1
SCHEMBL15054761 0.83 DGAT1 (0.54) DGAT1
SCHEMBL180599 0.83 DGAT1 (0.54) DGAT1
SCHEMBL898526 0.83 DGAT1 (0.54) DGAT1
SCHEMBL180800 0.82 DGAT1 (0.47) DGAT1SMN1; SMN2
SCHEMBL10188659 0.82 DGAT1 (0.56) DGAT1SMN1; SMN2
SCHEMBL15073266 0.80 DGAT1 (0.52) DGAT1
SCHEMBL180867 0.78 DGAT1 (0.54) DGAT1SMN1; SMN2
SCHEMBL180703 0.77 DGAT1 (0.81) DGAT1
SCHEMBL1588558 0.76 KMT2A (0.45) DGAT1SMN1; SMN2CYP2C19CYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402317-B1 DGAT inhibitor NOVARTIS AG (CH) 2013-07-03 EP claimed
EP-2402317-A1 DGAT inhibitor Novartis AG (CH) 2012-01-04 EP claimed
EP-2402319-B1 DGAT Inhibitors NOVARTIS AG (CH) 2017-08-30 EP disclosed
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
EP-2402317-B1 DGAT inhibitor NOVARTIS AG (CH) 2013-07-03 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-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 1/4885SMN1; SMN2 1511/4885CYP2C19 4262/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885SMN1; SMN2 1511/4885CYP2C19 4262/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885SMN1; SMN2 1476/4885CYP2C19 4234/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885SMN1; SMN2 1476/4885CYP2C19 4234/4885

“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.