SCHEMBL12891743

SCHEMBL12891743

C[C@H]1CCc2cc(-c3ccccn3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
ADRA1A P35348 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
CNR1 P21554 1/20 0.39
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
ABL1 P00519 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 3/20 0.37
FAAH O00519 2/20 0.37
CYP1A2 P05177 2/20 0.37
LMNA P02545 2/20 0.37
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
POLB P06746 1/20 0.37
METAP1 P53582 1/20 0.37

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
SCHEMBL12891748 1.00 DRD2 (0.41) DRD2ADRA1AHTR1AHTR7CNR1
SCHEMBL26820010 1.00 DRD2 (0.41) DRD2ADRA1AHTR1AHTR7CNR1
SCHEMBL1009142 0.79 MAOA (0.43) DRD2ADRA1AHTR1AHTR7KDM4E
SCHEMBL21557499 0.78 MAP4K4 (0.50) GSK3BDYRK1AABL1KCNH2MCHR1
SCHEMBL8014184 0.78 DRD2 (0.46) DRD2HTR1AHTR7GSK3BDYRK1A
SCHEMBL13291983 0.77 FAAH (0.44) DRD2HTR1AHTR7GSK3BDYRK1A
SCHEMBL21557500 0.77 ABL1 (0.42) CNR1GSK3BDYRK1AABL1KCNH2
SCHEMBL16905417 0.73 KDM4E (0.43) DRD2ADRA1AHTR1AHTR7ABL1
SCHEMBL21557622 0.73 F2 (0.47) GSK3BDYRK1AABL1FAAH
SCHEMBL5449418 0.72 HTR2C (0.56) HTR1AHTR7CNR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7687640-B2 Cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 DRD2 2277/4885ADRA1A 24/4885HTR1A 117/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 DRD2 489/4885ADRA1A 17/4885HTR1A 1101/4885

“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.