SCHEMBL3553721

SCHEMBL3553721

CCN1CC2CC1CN2c1ccccc1N=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
CHRNA7 P36544 4/20 0.32
KCNH2 Q12809 3/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL3547075 0.76 SLC6A9 (0.43)
SCHEMBL8012152 0.74 DRD3 (0.40) MAP3K12CHRNA7KCNH2
SCHEMBL18874061 0.67 GAA (0.38) MAP3K12
SCHEMBL13662010 0.67 GAA (0.38) MAP3K12
SCHEMBL20328234 0.66 SIGMAR1 (0.51)
SCHEMBL3436312 0.65 SIRT1 (0.40)
SCHEMBL3551745 0.64 CHRNA7 (0.51) CHRNA7
SCHEMBL5497843 0.63 HDAC1 (0.47)
SCHEMBL3435588 0.63 HDAC1 (0.40)
SCHEMBL8437072 0.63 PIK3CD (0.46) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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 (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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 MAP3K12 720/4885MAPK13 1851/4885MAPK12 1808/4885

“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.