SCHEMBL12401044

SCHEMBL12401044

O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.66
▸ PDE1C Q14123 2/20 0.66

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
SCHEMBL2110947 0.99 PDE9A (0.67) PDE9APDE1C
SCHEMBL7888416 0.92 PDE9A (0.56) PDE9APDE1C
SCHEMBL7888831 0.91 PDE9A (0.69) PDE9APDE1C
SCHEMBL7882780 0.90 PDE9A (0.55) PDE9APDE1C
SCHEMBL6368892 0.90 PDE9A (0.55) PDE9APDE1C
SCHEMBL7878017 0.90 PDE9A (0.55) PDE9APDE1C
SCHEMBL6339547 0.89 PDE9A (0.57) PDE9APDE1C
SCHEMBL6349184 0.89 PDE9A (0.57) PDE9APDE1C
SCHEMBL7884353 0.89 PDE9A (0.58) PDE9APDE1C
SCHEMBL7887933 0.89 PDE9A (0.54) PDE9APDE1C

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 1/4885PDE1C 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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