SCHEMBL7877959

SCHEMBL7877959

CC(C)(C)OC(=O)N1CCC(n2ncc3c(=O)[nH]c(CC4CCC4)nc32)C1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 18/20 0.60
▸ EZH2 Q15910 1/20 0.48
▸ PDE1C Q14123 3/20 0.47
▸ PDE1B Q01064 4/20 0.46
▸ PDE5A O76074 2/20 0.43
▸ PDE7A Q13946 2/20 0.43
▸ PDE10A Q9Y233 2/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ ATR Q13535 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ ACHE P22303 1/20 0.42

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
SCHEMBL7882593 0.96 PDE9A (0.62) PDE9AEZH2PDE1CPDE1BPDE5A
SCHEMBL7885103 0.94 PDE9A (0.64) PDE9AEZH2PDE1CPDE1BPDE5A
SCHEMBL7882198 0.93 PDE9A (0.68) PDE9AEZH2PDE1CPDE1BPDE5A
SCHEMBL7884565 0.87 PDE9A (0.70) PDE9APDE1CPDE1BPDE5APDE7A
SCHEMBL7884913 0.86 PDE9A (0.63) PDE9AEZH2PDE1CACHE
SCHEMBL7888809 0.85 PDE9A (0.68) PDE9APDE1CPDE1BPDE5APDE7A
SCHEMBL7887111 0.84 PDE9A (0.69) PDE9APDE1CPDE1BPDE5APDE7A
SCHEMBL12401199 0.83 PDE9A (0.67) PDE9APDE1CPDE1BPDE5APDE7A
SCHEMBL7885087 0.83 PDE9A (0.55) PDE9APDE1CPDE1BPDE5APDE7A
SCHEMBL7877451 0.83 PDE9A (0.76) PDE9APDE1CPDE1BPDE5APDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300478-B1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-03-23 — — EP disclosed
US-9102679-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-11 — — US disclosed
US-9102679-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-11 — — US disclosed
US-9096603-B2 1-heterocyclyl-1,5-dihydro-pyrazolo[3,4-D] pyrimidin-4-one derivatives and their use as PDE9A modulators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 — — US disclosed
US-9096603-B2 1-heterocyclyl-1,5-dihydro-pyrazolo[3,4-D] pyrimidin-4-one derivatives and their use as PDE9A modulators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 — — US disclosed
US-20140350025-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-27 — — US disclosed
US-20140073641-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 — — US disclosed
US-20140073641-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 — — US disclosed
EP-2414363-B1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INT (DE) 2014-01-08 — — EP disclosed
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-8623901-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 — — US disclosed
US-8623901-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 — — US disclosed
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
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
US-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-07 — — US disclosed
US-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-07 — — US disclosed
WO-2010112437-A1 1-HETEROCYCLYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 — — WO disclosed
WO-2009121919-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-08 — — WO 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 (4 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 1/4885EZH2 4557/4885PDE1C 6/4885
US-20140350025-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CHRM1, ATP6V1B2, CNR1 PDE9A 1284/4885EZH2 4091/4885PDE1C 424/4885
US-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CHRM1, CHRM2, CHRM5 PDE9A 1390/4885EZH2 4054/4885PDE1C 418/4885
US-20140073641-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS PDE9A, PDE7A, PDE1A PDE9A 1/4885EZH2 4406/4885PDE1C 9/4885

“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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