SCHEMBL12891737

SCHEMBL12891737

C[C@@H]1CCc2cccnc2C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD3 P35462 1/20 0.44
GRIN1 Q05586 4/20 0.42
GRIN2B Q13224 4/20 0.42
CYP2D6 P10635 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP19A1 P11511 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
IDH1 O75874 2/20 0.34
RAB9A P51151 1/20 0.34
DRD1 P21728 1/20 0.34

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
SCHEMBL10016895 1.00 DRD2 (0.44) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL12891739 1.00 DRD2 (0.44) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL30666578 1.00 DRD2 (0.44) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL12891728 0.85 DRD2 (0.55) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL12891735 0.85 DRD2 (0.55) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL8267166 0.85 DRD2 (0.55) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL13998641 0.82 DRD3 (0.44) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL3498480 0.82 DRD3 (0.44) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL13998639 0.82 DRD3 (0.44) DRD2DRD3GRIN1GRIN2BCYP2D6
SCHEMBL8552008 0.79 DRD2 (0.42) DRD2DRD3GRIN1GRIN2BCYP2D6

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 5 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
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP 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 2277/4885DRD3 1778/4885GRIN1 183/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 DRD2 489/4885DRD3 234/4885GRIN1 404/4885

“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.