SCHEMBL2821403

SCHEMBL2821403

NC(=O)[CH]c1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.44
▸ CES1 P23141 2/20 0.44
▸ BACE1 P56817 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ LOX P28300 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ PARP1 P09874 5/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ MAPK8 P45983 1/20 0.33

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
SCHEMBL16649720 0.85 EPAS1 (0.35) CES2CES1MAOAMAOBLOX
SCHEMBL8148789 0.79 BACE1 (0.51) CES2CES1BACE1PTGS1PTGS2
SCHEMBL8148781 0.79 BACE1 (0.51) CES2CES1BACE1PTGS1PTGS2
SCHEMBL16649771 0.78 CES2 (0.46) CES2CES1MAOAMAOBLOX
SCHEMBL2825728 0.78 NFE2L2 (0.56) CES2CES1PTGS1PTGS2MAOB
SCHEMBL2478894 0.75 HSD11B1 (0.52) CES2CES1FBP1
SCHEMBL3161665 0.70 PLA2G7 (0.49) CES2CES1PTGS2CA12CA1
SCHEMBL259315 0.69 CES2 (0.62) CES2CES1CA12CA1CA9
Bicarbonate SCHEMBL29155469 0.68 CES2 (0.61) CES2CES1CA12CA1CA9
SCHEMBL30897202 0.67 PARP1 (0.47) CES2CES1PARP1ERN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121617-B1 CB1 RECEPTOR MODULATORS 7TM PHARMA AS (DK) 2014-01-22 — — EP disclosed
EP-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 — — EP disclosed
US-7687640-B2 Cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
US-7667041-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 — — US disclosed
US-20100010061-A1 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2010-01-14 — — US disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 — — US disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 — — US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 — — EP disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 — — 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 (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-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 CES2 4419/4885CES1 3058/4885BACE1 3/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 CES2 54/4885CES1 106/4885BACE1 1422/4885
US-20100010061-A1 CB1 RECEPTOR MODULATORS CNR1, CNR2, GPR6 CES2 500/4885CES1 312/4885BACE1 1651/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 CES2 3234/4885CES1 1036/4885BACE1 3/4885

“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.

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