SCHEMBL7884913

SCHEMBL7884913

CC(C)(C)OC(=O)N1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 17/20 0.63
▸ PDE1C Q14123 3/20 0.63
▸ EZH2 Q15910 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ PARP1 P09874 2/20 0.45
▸ PARP2 Q9UGN5 2/20 0.45

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
SCHEMBL7882917 0.95 PDE9A (0.66) PDE9APDE1CEZH2ACHE
SCHEMBL7884915 0.95 PDE9A (0.68) PDE9APDE1CEZH2ACHE
SCHEMBL7885831 0.88 PDE9A (0.68) PDE9APDE1CACHE
SCHEMBL7888716 0.88 PDE9A (0.51) PDE9APDE1C
SCHEMBL7882911 0.87 PDE9A (0.69) PDE9APDE1CACHE
SCHEMBL7888703 0.86 PDE9A (0.47) PDE9APDE1C
SCHEMBL7879215 0.86 PDE9A (0.65) PDE9APDE1CEZH2ACHE
SCHEMBL7877959 0.86 PDE9A (0.60) PDE9APDE1CEZH2ACHE
SCHEMBL7881534 0.86 PDE9A (0.67) PDE9APDE1CACHE
SCHEMBL12401216 0.86 PDE9A (0.67) PDE9APDE1CACHE

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-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-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 1/4885PDE1C 6/4885EZH2 4557/4885
US-20140350025-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CHRM1, ATP6V1B2, CNR1 PDE9A 1284/4885PDE1C 424/4885EZH2 4091/4885
US-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CHRM1, CHRM2, CHRM5 PDE9A 1390/4885PDE1C 418/4885EZH2 4054/4885
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 1/4885PDE1C 9/4885EZH2 4406/4885

“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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