SCHEMBL12045009

SCHEMBL12045009

CCC1c2cccn2CCN1C(=O)c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 16/20 0.43
PDE5A O76074 1/20 0.41
PDE1B Q01064 2/20 0.35
PDE1A P54750 1/20 0.35

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
SCHEMBL12044986 0.91 PDE9A (0.43) PDE9APDE5APDE1B
SCHEMBL12045011 0.88 PDE9A (0.41) PDE9APDE5APDE1BPDE1A
SCHEMBL12045013 0.87 PDE9A (0.45) PDE9APDE5A
SCHEMBL12045012 0.87 PDE9A (0.42) PDE9APDE5APDE1BPDE1A
SCHEMBL12045007 0.83 PDE9A (0.46) PDE9APDE5A
SCHEMBL7900336 0.83 PDE9A (0.42) PDE9APDE5APDE1BPDE1A
SCHEMBL14827018 0.82 PDE9A (0.46) PDE9APDE5APDE1BPDE1A
SCHEMBL7905991 0.80 PDE9A (0.49) PDE9APDE5A
SCHEMBL7907352 0.80 PDE9A (0.41) PDE9APDE5APDE1BPDE1A
SCHEMBL14826993 0.80 PDE9A (0.49) PDE9APDE5APDE1B

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-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 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 (2 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-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A PDE9A 1/4885PDE5A 4/4885PDE1B 30/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885PDE1B 48/4885

“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.