SCHEMBL12401276

SCHEMBL12401276

C=C(C)N1CCCC(n2ncc3c(=O)[nH]c(CC(C)C)nc32)C1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.59
▸ PDE1B Q01064 5/20 0.51
▸ PDE1C Q14123 2/20 0.48
▸ PDE5A O76074 2/20 0.47
▸ PDE7A Q13946 2/20 0.47
▸ PDE10A Q9Y233 2/20 0.47

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
SCHEMBL7887078 0.91 PDE9A (0.60) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL12401215 0.89 PDE9A (0.55) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL12401176 0.87 PDE9A (0.69) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL12401259 0.87 PDE9A (0.66) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL7885087 0.85 PDE9A (0.55) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL7888819 0.85 PDE9A (0.55) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL12401183 0.84 PDE9A (0.71) PDE9APDE1C
SCHEMBL12401030 0.84 PDE9A (0.81) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL12401048 0.83 PDE9A (0.79) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL12401199 0.82 PDE9A (0.67) PDE9APDE1BPDE1CPDE5APDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623879-B2 1-heterocyclyl-1,5-dihydro-pyrazolo[3,4-D] pyrimidin-4-one derivates and their use as PDE9A modulators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 — — US disclosed
US-20110184000-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 — — 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-20110184000-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATES AND THEIR USE AS PDE9A MODULATORS PDE9A, PDE7A, PDE1A PDE9A 1/4885PDE1B 4/4885PDE1C 6/4885

“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.

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