SCHEMBL720148

SCHEMBL720148

CCOC(=O)C(CCCCl)P(=O)(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CYP2D6 P10635 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL10847001 0.88 POLB (0.41) POLBCYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL3675752 0.86 POLB (0.43) POLBCYP2C9CYP2C19CYP3A4TDP1
SCHEMBL9000615 0.85 POLB (0.42) POLB
SCHEMBL8616279 0.85 POLB (0.39) POLBCYP2C9CYP2C19CYP3A4TDP1
SCHEMBL1533394 0.85 CYP3A4 (0.37) POLBCYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL908329 0.84 CYP3A4 (0.36) CYP2C9CYP2C19CYP3A4SMN1; SMN2GAA
SCHEMBL9234014 0.83 SMPD1 (0.42) POLB
SCHEMBL1759172 0.83 POLB (0.38) POLBCYP2C9CYP2C19CYP3A4TDP1
SCHEMBL3674519 0.83 SMPD1 (0.42) POLB
SCHEMBL1051880 0.82 POLB (0.53) POLBCYP2C9CYP2C19CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
CN-1972916-B Cinnamide compounds EISAI R&D MAN CO LTD 2013-03-27 CN disclosed
CN-101723900-B Cinnamide compounds EISAI R&D MAN CO LTD 2012-08-22 CN disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
CN-102333777-A Nitrogen-containing fused heterocyclic compounds and their use as beta-amyloid production inhibitors EISAI R&D MAN CO LTD 2012-01-25 CN disclosed
US-20110086860-A1 COMPOUND KIMURA TEIJI 2011-04-14 US disclosed
US-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 US 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
CN-101723900-A Cinnamide compounds EISAI R&D MAN CO LTD 2010-06-09 CN 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-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
CN-1972916-A Cinnamide compounds EISAI R&D MAN CO LTD (JP) 2007-05-30 CN 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 (5 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-20110086860-A1 COMPOUND ARRB1, NR3C2, ADRA2C POLB 4578/4885CYP2C9 112/4885CYP2C19 134/4885
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 POLB 2121/4885CYP2C9 4313/4885CYP2C19 3720/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 POLB 4735/4885CYP2C9 308/4885CYP2C19 296/4885
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 POLB 2700/4885CYP2C9 2129/4885CYP2C19 2265/4885
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 POLB 2830/4885CYP2C9 3470/4885CYP2C19 2832/4885

“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.