SCHEMBL6345622

SCHEMBL6345622

CC(C)(O)c1ccc2[nH]c(=O)c(-c3cccs3)c(OCC3CCOCC3)c2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.75
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC3 O15379 2/20 0.39
CYP2D6 P10635 3/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
BRD4 O60885 1/20 0.33

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
SCHEMBL6351670 0.91 PDE2A (0.63) PDE2AHDAC1HDAC2HDAC3GRIN2D
SCHEMBL957022 0.86 PDE2A (1.00) PDE2AHDAC1HDAC2HDAC3CYP2D6
SCHEMBL962565 0.85 PDE2A (0.77) PDE2AHDAC1HDAC2HDAC3CYP2D6
SCHEMBL6346581 0.82 PDE2A (0.53) PDE2ACYP2D6BRD4
SCHEMBL2680484 0.77 PDE2A (0.85) PDE2AHDAC1HDAC2HDAC3
SCHEMBL6347489 0.77 PDE2A (0.70) PDE2AHDAC1HDAC2HDAC3GRIN2D
SCHEMBL935454 0.75 PDE2A (0.80) PDE2AHDAC1HDAC2HDAC3GRIN2D
SCHEMBL17004365 0.75 PDE2A (0.55) PDE2AHDAC1HDAC2HDAC3CYP2D6
SCHEMBL935223 0.74 PDE2A (1.00) PDE2AHDAC1HDAC2HDAC3
SCHEMBL2680452 0.74 PDE2A (0.76) PDE2AHDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 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 (1 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-20120115885-A1 Quinolinone PDE2 Inhibitors PDE12, PDE2A, PDE4A PDE2A 2/4885HDAC1 484/4885HDAC2 183/4885

“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.