SCHEMBL12733734

SCHEMBL12733734

C=C(C)c1cccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)c1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.73

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
SCHEMBL12710294 0.86 PDE9A (0.72) PDE9A
SCHEMBL12733274 0.85 PDE9A (0.72) PDE9A
SCHEMBL7886935 0.84 PDE9A (1.00) PDE9A
SCHEMBL7882542 0.83 PDE9A (1.00) PDE9A
SCHEMBL7877685 0.83 PDE9A (1.00) PDE9A
SCHEMBL7876909 0.83 PDE9A (1.00) PDE9A
SCHEMBL7876055 0.83 PDE9A (0.84) PDE9A
SCHEMBL12399465 0.82 PDE9A (0.82) PDE9A
SCHEMBL7879280 0.82 PDE9A (0.82) PDE9A
SCHEMBL7884524 0.82 PDE9A (1.00) PDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-07 — — 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-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CHRM1, CHRM2, CHRM5 PDE9A 1390/4885

“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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