SCHEMBL817396

SCHEMBL817396

C=CCOc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
AOC3 Q16853 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
AGER Q15109 1/20 0.45
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
NR4A2 P43354 1/20 0.43

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
SCHEMBL11515037 0.83 MAOB (0.50) MAOBAOC3L3MBTL1KDM4ELMNA
SCHEMBL24854681 0.83 L3MBTL1 (0.55) MAOBAOC3L3MBTL1KDM4ELMNA
SCHEMBL584635 0.83 KDM4E (0.54) MAOBAOC3L3MBTL1KDM4ELMNA
SCHEMBL29705676 0.83 KDM4E (0.54) MAOBAOC3L3MBTL1KDM4ELMNA
SCHEMBL31267637 0.82 L3MBTL1 (0.57) MAOBAOC3L3MBTL1KDM4ELMNA
SCHEMBL1520719 0.81 MEN1 (0.50) KDM4ELMNAALDH1A1RAB9AKMT2A
SCHEMBL535459 0.80 L3MBTL1 (0.54) MAOBAOC3L3MBTL1KDM4ELMNA
SCHEMBL9811694 0.80 L3MBTL1 (0.51) MAOBAOC3L3MBTL1KDM4ELMNA
SCHEMBL9797421 0.80 L3MBTL1 (0.51) MAOBAOC3L3MBTL1KDM4ELMNA
SCHEMBL7762046 0.80 L3MBTL1 (0.55) MAOBAOC3L3MBTL1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-18 US disclosed
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 US disclosed
US-20180319797-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-11-08 US disclosed
EP-2945944-B1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-09 EP disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 US disclosed
EP-2945944-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2015-11-25 EP disclosed
EP-2274266-B1 PROCESS FOR THE PREPARATION OF PROSTAGLANDIN ANALOGUES AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN LTD (TW) 2014-10-15 EP disclosed
CN-102137851-B Compound as vanilloid receptor antagonist, isomer thereof or pharmaceutically acceptable salt thereof, and pharmaceutical composition comprising same AMOREPACIFIC CORP 2014-08-27 CN disclosed
WO-2014111457-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-07-24 WO disclosed
US-8742143-B2 Process for the preparation of prostaglandin analogues SCINOPHARM TAIWAN, LTD. (TW) 2014-06-03 US disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO disclosed
WO-2009141718-A2 PROCESS FOR THE PREPARATION OF PROSTAGLANDIN ANALOGUES AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN LTD. (TW) 2009-11-26 WO disclosed
US-20090259058-A1 Process for the Preparation of Prostaglandin Analogues and Intermediates Thereof SCINOPHARM TAIWAN LTD. 2009-10-15 US disclosed
US-20090259058-A1 Process for the Preparation of Prostaglandin Analogues and Intermediates Thereof SCINOPHARM TAIWAN LTD. 2009-10-15 US disclosed
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 US disclosed
EP-1687306-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2006-08-09 EP disclosed
WO-2005049613-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2005-06-02 WO disclosed
EP-0257391-A2 5-Substituted-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines FISONS CORPORATION (US) 1988-03-02 EP disclosed
US-4723021-A Substituted 5-(phenoxyalkyl)-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines PENNWALT CORPORATION (US) 1988-02-02 US 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 (6 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-20090259058-A1 Process for the Preparation of Prostaglandin Analogues and Intermediates Thereof PTGIS, PTGES, PTGER1 MAOB 1088/4885AOC3 2004/4885L3MBTL1 4229/4885
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 MAOB 1462/4885AOC3 3878/4885L3MBTL1 4066/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOB 1641/4885AOC3 4164/4885L3MBTL1 4226/4885
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 MAOB 3067/4885AOC3 3938/4885L3MBTL1 4065/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 MAOB 1462/4885AOC3 3878/4885L3MBTL1 4066/4885
US-20180319797-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOB 1641/4885AOC3 4164/4885L3MBTL1 4226/4885

“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.