SCHEMBL12891720

SCHEMBL12891720

COc1ccc2c(n1)CCC[C@H]2C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
DRD1 P21728 1/20 0.40
DRD3 P35462 1/20 0.39
HRH3 Q9Y5N1 2/20 0.35
HRH2 P25021 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
TXNRD1 Q16881 2/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1F P30939 1/20 0.33
PDE10A Q9Y233 1/20 0.32
GRM5 P41594 3/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL12891719 1.00 DRD2 (0.40) DRD2DRD1DRD3HRH3HRH2
SCHEMBL5613205 0.80 DRD2 (0.43) DRD2DRD1DRD3DDB1CRBN
SCHEMBL2080223 0.76 HTR2C (0.51) HTR2AHTR2CHTR2B
SCHEMBL12891724 0.76 CHRNB2 (0.38) HRH3HRH2GRM5
SCHEMBL12891722 0.76 CHRNB2 (0.38) HRH3HRH2GRM5
SCHEMBL31137696 0.75 DRD2 (0.43) DRD2DRD1DRD3DDB1CRBN
SCHEMBL31568909 0.72 MAOA (0.44) DRD2DRD1DRD3HTR2AHTR2C
SCHEMBL28447625 0.72 DRD2 (0.41) DRD2DRD1DRD3DDB1CRBN
SCHEMBL8634061 0.71 DRD2 (0.39) DRD2DRD1DRD3HTR2C
SCHEMBL11648533 0.71 KDM6B (0.45) HRH3HRH2GRM5MAOAMAOB

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 2277/4885DRD1 1442/4885DRD3 1778/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 DRD2 489/4885DRD1 170/4885DRD3 234/4885

“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.