SCHEMBL1722666

SCHEMBL1722666

COc1cc2c(cc1C(=O)N1Cc3ccccc3CC1CO)[nH]c(=O)c1cnc(C3CCCCC3)n12

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.61
PDE5A O76074 1/20 0.48
NR1D1 P20393 5/20 0.39
BCL2 P10415 11/20 0.37

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
SCHEMBL12044649 1.00 PDE9A (0.61) PDE9APDE5ANR1D1BCL2
SCHEMBL7912426 0.87 PDE9A (0.70) PDE9APDE5A
SCHEMBL9979334 0.86 PDE9A (0.42) PDE9ANR1D1BCL2
SCHEMBL14826781 0.84 PDE9A (0.63) PDE9APDE5A
SCHEMBL7902967 0.83 PDE9A (0.42) PDE9APDE5ABCL2
SCHEMBL7904294 0.83 PDE9A (0.42) PDE9APDE5ABCL2
SCHEMBL3597945 0.79 PDE9A (0.75) PDE9APDE5A
SCHEMBL3599979 0.79 PDE9A (0.75) PDE9APDE5A
SCHEMBL12044771 0.79 PDE9A (0.58) PDE9APDE5A
SCHEMBL3605995 0.79 PDE9A (0.81) PDE9APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP claimed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US claimed
EP-2404922-B1 QUINOXALINE COMPOUNDS ASTELLAS PHARMA INC (JP) 2016-11-09 EP disclosed
US-8674096-B2 Substituted imidazo[1,5-a]quinoxalin-4-ones as phosphodiesterase 9 inhibitors ASTELLAS PHARMA INC. (JP) 2014-03-18 US disclosed
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 4/4885NR1D1 3508/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885NR1D1 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.