SCHEMBL471010

SCHEMBL471010

CCc1cnc2c(c1)CCN2C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.45
ESR2 Q92731 1/20 0.38
NR1H2 P55055 1/20 0.38
DHODH Q02127 1/20 0.37
MPO P05164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL22226389 0.83 P2RY12 (0.40) CYP11B2NPC1RAB9A
SCHEMBL10053887 0.83 CYP11B2 (0.45) CYP11B2ESR2NR1H2
SCHEMBL2964825 0.82 CYP11B2 (0.42) CYP11B2ESR2NR1H2
SCHEMBL471037 0.81 CYP11B2 (0.40) CYP11B2ESR2NR1H2GPR119
SCHEMBL2959088 0.80 CYP11B2 (0.41) CYP11B2ESR2NR1H2
SCHEMBL12043855 0.79 CYP11B2 (0.44) CYP11B2ESR2NR1H2GPR119
SCHEMBL20364359 0.78 ESR2 (0.50) ESR2NR1H2GPR119
SCHEMBL13691905 0.77 DHODH (0.53) ESR2DHODHMPONPC1RAB9A
SCHEMBL22226388 0.77 CYP11B2 (0.45) CYP11B2
SCHEMBL30513283 0.76 CYP11B2 (0.41) CYP11B2ESR2NR1H2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.