SCHEMBL1237441

SCHEMBL1237441

O=C1CCCc2ccc(N3CCOCC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.45
SIGMAR1 Q99720 4/20 0.45
MAPK14 Q16539 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PSMD14 O00487 1/20 0.43
LGMN Q99538 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LMNA P02545 2/20 0.43
PRKDC P78527 3/20 0.42
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 1/20 0.42
CYP2A6 P11509 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL30641510 1.00 TMEM97 (0.45) TMEM97SIGMAR1MAPK14MAPTALDH1A1
SCHEMBL1240432 0.88 MAPK14 (0.53) TMEM97SIGMAR1MAPK14MAPTALDH1A1
SCHEMBL2819922 0.87 ALDH1A1 (0.51) MAPTALDH1A1NPSR1LMNACYP2A6
Hydrochloric Acid SCHEMBL11471464 0.87 MAPK14 (0.52) TMEM97SIGMAR1MAPK14MAPTALDH1A1
SCHEMBL19521110 0.82 ITGB3 (0.46) SIGMAR1MAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL10386377 0.80 TMEM97 (0.58) TMEM97SIGMAR1MAPTALDH1A1SMN1; SMN2
SCHEMBL1240505 0.78 TMEM97 (0.44) TMEM97SIGMAR1MAPTALDH1A1LGMN
SCHEMBL1240508 0.78 TMEM97 (0.44) TMEM97SIGMAR1MAPTALDH1A1LGMN
SCHEMBL1237844 0.78 PSMD14 (0.48) TMEM97SIGMAR1MAPK14MAPTALDH1A1
SCHEMBL10386636 0.77 TMEM97 (0.58) TMEM97SIGMAR1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117049935-B Method for constructing carbon-carbon bond through electrophilic cross-coupling reaction 成都泰和伟业生物科技有限公司 2023-12-08 CN disclosed
CN-117049935-A Method for constructing carbon-carbon bond through electrophilic cross-coupling reaction 成都泰和伟业生物科技有限公司 2023-11-14 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-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 TMEM97 3388/4885SIGMAR1 731/4885MAPK14 2281/4885
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 TMEM97 2635/4885SIGMAR1 4160/4885MAPK14 1487/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 TMEM97 3150/4885SIGMAR1 1457/4885MAPK14 3047/4885
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 TMEM97 2157/4885SIGMAR1 3497/4885MAPK14 2384/4885

“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.