SCHEMBL1239741

SCHEMBL1239741

COC(=O)c1ccc(-n2ccnc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
POLB P06746 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CYP3A4 P08684 1/20 0.48
BAZ2B Q9UIF8 1/20 0.48
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
CYP19A1 P11511 1/20 0.44
ADH5 P11766 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL27480025 0.89 HTT (0.62) HTTCYP11B1CYP11B2POLBMAOA
SCHEMBL12316378 0.88 CYP11B1 (0.52) HTTCYP11B1CYP11B2POLBMAOA
SCHEMBL12316382 0.86 CYP11B1 (0.51) HTTCYP11B1CYP11B2POLBMAOA
SCHEMBL12121095 0.85 CYP2D6 (0.57) HTTCYP11B1CYP11B2CYP3A4BAZ2B
SCHEMBL26614109 0.84 HTT (0.62) HTTCYP11B1CYP11B2CYP3A4BAZ2B
SCHEMBL1316434 0.82 HTT (0.51) HTTCYP11B1CYP11B2CYP3A4LMNA
SCHEMBL29495196 0.81 HTT (0.62) HTTCYP11B1CYP11B2POLBCYP3A4
SCHEMBL26865606 0.81 HTT (0.62) HTTCYP11B1CYP11B2POLBCYP3A4
SCHEMBL26614095 0.80 MAPT (0.61) HTTCYP11B1CYP11B2CYP3A4BAZ2B
SCHEMBL5806043 0.80 CYP11B1 (0.52) HTTCYP11B1CYP11B2POLBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1972916-B Cinnamide compounds EISAI R&D MAN CO LTD 2013-03-27 CN disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
CN-101723900-B Cinnamide compounds EISAI R&D MAN CO LTD 2012-08-22 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
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US 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 HTT 3024/4885CYP11B1 16/4885CYP11B2 13/4885
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 HTT 463/4885CYP11B1 282/4885CYP11B2 546/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 HTT 4190/4885CYP11B1 62/4885CYP11B2 57/4885
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 HTT 719/4885CYP11B1 990/4885CYP11B2 1422/4885
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 HTT 38/4885CYP11B1 1827/4885CYP11B2 2429/4885

“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.