SCHEMBL471037

SCHEMBL471037

C=Cc1cnc2c(c1)CCN2C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.40
ESR2 Q92731 1/20 0.38
NR1H2 P55055 1/20 0.37
CHRM4 P08173 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
MAPT P10636 1/20 0.36
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
GPR119 Q8TDV5 2/20 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
SCHEMBL10053887 0.82 CYP11B2 (0.45) CYP11B2ESR2NR1H2CHRM4DRD2
SCHEMBL471010 0.81 CYP11B2 (0.45) CYP11B2ESR2NR1H2GPR119
SCHEMBL2964825 0.81 CYP11B2 (0.42) CYP11B2ESR2NR1H2CHRM4DRD2
SCHEMBL2672999 0.81 CYP11B2 (0.45) CYP11B2
SCHEMBL2672997 0.81 CYP11B2 (0.45) CYP11B2
SCHEMBL23791581 0.80 GRM5 (0.47) CYP11B2F13A1TGM2TGM1GPR119
SCHEMBL29933812 0.80 GRM5 (0.47) CYP11B2F13A1TGM2TGM1GPR119
SCHEMBL2959088 0.79 CYP11B2 (0.41) CYP11B2ESR2NR1H2CHRM4DRD2
SCHEMBL12043855 0.78 CYP11B2 (0.44) CYP11B2ESR2NR1H2MAPTGPR119
SCHEMBL22226389 0.78 P2RY12 (0.40) CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615096-B1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
US-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 US disclosed
US-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 US disclosed
US-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 US disclosed
US-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 US disclosed
US-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 US disclosed
US-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 US disclosed
EP-2615096-A1 QUINOXALINE COMPOUND Astellas Pharma Inc. (JP) 2013-07-17 EP disclosed
WO-2012033101-A1 QUINOXALINE COMPOUND アステラス製薬株式会社 (JP) 2012-03-15 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-20130296329-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE2A CYP11B2 3623/4885ESR2 4743/4885NR1H2 4342/4885

“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.