SCHEMBL180730

SCHEMBL180730

O=C(O)C(=O)N1CCC(c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)nc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.52
MCHR1 Q99705 1/20 0.40
FPR2 P25090 3/20 0.40
FPR1 P21462 1/20 0.40
EPHX2 P34913 1/20 0.40
ENPP2 Q13822 1/20 0.39
IDO1 P14902 4/20 0.39
TDO2 P48775 2/20 0.39
RBP4 P02753 1/20 0.39
USP30 Q70CQ3 2/20 0.38
SOAT2 O75908 1/20 0.37
SOAT1 P35610 1/20 0.37
CCR6 P51684 1/20 0.37

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
SCHEMBL180828 0.88 DGAT1 (0.47) DGAT1MCHR1FPR2FPR1EPHX2
SCHEMBL181069 0.86 DDB1 (0.50) DGAT1
SCHEMBL180746 0.86 DGAT1 (0.56) DGAT1MCHR1USP30CCR6
SCHEMBL27758109 0.83 DGAT1 (0.47) DGAT1MCHR1FPR2FPR1EPHX2
SCHEMBL180830 0.83 DGAT1 (0.76) DGAT1SOAT2SOAT1
SCHEMBL4323880 0.81 DGAT1 (0.49) DGAT1MCHR1FPR2FPR1EPHX2
SCHEMBL182490 0.81 APP (0.51) DGAT1
Hydrochloric Acid SCHEMBL181048 0.80 APP (0.50) DGAT1
SCHEMBL4323884 0.79 DGAT1 (0.48) DGAT1MCHR1FPR2FPR1ENPP2
Tert-Butyl Formate SCHEMBL27758111 0.74 DGAT1 (0.45) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101415683-B Novel compounds NOVARTIS AG 2013-07-17 CN claimed
CN-103086981-A New compounds NOVARTIS AG 2013-05-08 CN claimed
EP-2404905-A1 New compounds Novartis AG (CH) 2012-01-11 EP claimed
EP-2402320-A1 Anorectic agents Novartis AG (CH) 2012-01-04 EP claimed
EP-2301923-A1 New compounds Novartis AG (CH) 2011-03-30 EP claimed
CN-101415683-A Novel compounds NOVARTIS AG (CH) 2009-04-22 CN claimed
EP-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 EP claimed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 WO claimed
US-20150065517-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-20150065517-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US 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-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-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
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 EP disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO 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-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 WO 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 (1 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 1/4885MCHR1 4196/4885FPR2 4202/4885

“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.