SCHEMBL12891735

SCHEMBL12891735

C[C@H]1CCc2ncccc2C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
GRIN1 Q05586 4/20 0.42
GRIN2B Q13224 4/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP2D6 P10635 2/20 0.35
TP53 P04637 1/20 0.35
CCNC P24863 1/20 0.35
HTT P42858 1/20 0.35
CDK8 P49336 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL8267166 1.00 DRD2 (0.55) DRD2DRD3GRIN1GRIN2BKDM4E
SCHEMBL12891728 1.00 DRD2 (0.55) DRD2DRD3GRIN1GRIN2BKDM4E
SCHEMBL10016895 0.85 DRD2 (0.44) DRD2DRD3GRIN1GRIN2BKDM4E
SCHEMBL12891739 0.85 DRD2 (0.44) DRD2DRD3GRIN1GRIN2BKDM4E
SCHEMBL12891737 0.85 DRD2 (0.44) DRD2DRD3GRIN1GRIN2BKDM4E
SCHEMBL30666578 0.85 DRD2 (0.44) DRD2DRD3GRIN1GRIN2BKDM4E
SCHEMBL13998639 0.82 DRD3 (0.44) DRD2DRD3GRIN1GRIN2BKDM4E
SCHEMBL13998641 0.82 DRD3 (0.44) DRD2DRD3GRIN1GRIN2BKDM4E
SCHEMBL3498480 0.82 DRD3 (0.44) DRD2DRD3GRIN1GRIN2BKDM4E
SCHEMBL5051400 0.78 PLAU (0.55) DRD2DRD3GRIN1GRIN2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-22 US disclosed
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-22 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
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 (3 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
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, PDGFRB DRD2 2388/4885DRD3 2931/4885GRIN1 1641/4885

“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.