SCHEMBL1722495

SCHEMBL1722495

Cc1cc2c(cc1C(=O)N1CCc3cc(Cl)ccc31)[nH]c(=O)c1cnc([C@H]3CC[C@H](C(=O)OCc4ccccc4)CC3)n12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 5/20 0.40
PDE5A O76074 1/20 0.40
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AVPR2 P30518 2/20 0.35
SLC12A2 P55011 1/20 0.35
WNK1 Q9H4A3 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
POLB P06746 1/20 0.34
SPR P35270 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
NOTUM Q6P988 1/20 0.33
AVPR1A P37288 2/20 0.33

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
SCHEMBL1722498 1.00 PDE9A (0.40) PDE9APDE5ASCN9ASCN5AALDH1A1
SCHEMBL1722324 0.89 PDE9A (0.46) PDE9APDE5ASCN9ASCN5AALDH1A1
SCHEMBL1722322 0.89 PDE9A (0.46) PDE9APDE5ASCN9ASCN5AALDH1A1
SCHEMBL1722132 0.86 PDE9A (0.45) PDE9APDE5ASCN9ASCN5AALDH1A1
SCHEMBL1724121 0.86 PDE9A (0.45) PDE9APDE5ASCN9ASCN5AALDH1A1
SCHEMBL1721744 0.86 PDE9A (0.47) PDE9APDE5ASCN9ASCN5AAVPR2
SCHEMBL1721742 0.86 PDE9A (0.47) PDE9APDE5ASCN9ASCN5AAVPR2
SCHEMBL9979352 0.86 PDE9A (0.47) PDE9APDE5ASCN9ASCN5AAVPR2
SCHEMBL1725452 0.84 PDE9A (0.46) PDE9APDE5ASCN9ASCN5AAVPR2
SCHEMBL15103306 0.83 PDE9A (0.47) PDE9APDE5ASCN9ASCN5AAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 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-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 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
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 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 4/4885SCN9A 48/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885SCN9A 77/4885

“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.