SCHEMBL6897438

SCHEMBL6897438

O=c1[nH]c(C2CCC2)nc2c1cnn2C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.60
PDE1C Q14123 5/20 0.60

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
SCHEMBL13870398 0.88 PDE9A (0.60) PDE9APDE1C
SCHEMBL6898925 0.88 PDE9A (0.67) PDE9APDE1C
Hydrochloric Acid SCHEMBL4511412 0.87 PDE9A (0.59) PDE9APDE1C
SCHEMBL13865776 0.86 PDE9A (0.58) PDE9APDE1C
SCHEMBL13865784 0.85 PDE9A (0.54) PDE9APDE1C
SCHEMBL4510198 0.84 PDE9A (0.56) PDE9APDE1C
SCHEMBL3725138 0.84 PDE9A (0.56) PDE9APDE1C
SCHEMBL13865753 0.83 PDE9A (0.57) PDE9APDE1C
SCHEMBL4498983 0.82 PDE9A (0.54) PDE9APDE1C
SCHEMBL13866017 0.82 PDE9A (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212960-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212960-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011018495-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 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 (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-20110212960-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER BDNF, PSEN1, CHRNA5 PDE9A 349/4885PDE1C 294/4885

“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.