SCHEMBL1239752

SCHEMBL1239752

NCc1ccc2cc(N3CCOCC3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 2/20 0.55
NSD2 O96028 1/20 0.55
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
CASP6 P55212 1/20 0.55
LGMN Q99538 2/20 0.49
AKR1C3 P42330 1/20 0.47
AGXT P21549 1/20 0.47
NCF1 P14598 1/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 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
SCHEMBL39888 0.84 LMNA (0.52) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL108136 0.80 AGXT (0.69) MAPTHTTLMNALGMNAKR1C3
SCHEMBL27483128 0.79 HRH3 (0.55) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL12635871 0.79 ST14 (0.52) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL2351767 0.78 AGXT (0.46) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL4745958 0.78 AKR1C3 (0.69) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL8535295 0.77 SIGMAR1 (0.50) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL1237740 0.76 MAPT (0.50) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL3722035 0.75 AOC3 (0.62) MAPTHTTLMNAAGXTNCF1
SCHEMBL4649483 0.75 MAPT (0.59) MAPTHTTSMN1; SMN2LMNAKDM4E

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
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-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
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-20110086860-A1 COMPOUND ARRB1, NR3C2, ADRA2C MAPT 2284/4885HTT 3024/4885SMN1; SMN2 1928/4885
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 MAPT 37/4885HTT 463/4885SMN1; SMN2 82/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 MAPT 3460/4885HTT 4190/4885SMN1; SMN2 2370/4885
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 MAPT 10/4885HTT 38/4885SMN1; SMN2 235/4885

“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.