SCHEMBL3554570

SCHEMBL3554570

CCN1CCN(c2ccc(C#N)cc2N)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
RAD52 P43351 3/20 0.51
MAPT P10636 2/20 0.51
GFER P55789 2/20 0.51
DRD2 P14416 5/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
DRD3 P35462 4/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.40
CHRNA7 P36544 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
DRD4 P21917 2/20 0.39
PRMT1 Q99873 1/20 0.39

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
SCHEMBL26143927 0.83 ALDH1A1 (0.59) GAARAD52MAPTKDM4EHRH3
SCHEMBL18550985 0.82 ADRA1D (0.52) GAARAD52MAPTGFERDRD2
SCHEMBL26143864 0.80 KDM4E (0.40) GAAMAPTKDM4ESMN1; SMN2HRH3
SCHEMBL27861191 0.80 MAPT (0.71) GAARAD52MAPTGFERKDM4E
SCHEMBL3085427 0.80 S100B (0.59) GAAMAPTKDM4ESMN1; SMN2POLB
SCHEMBL29818036 0.79 ALDH1A1 (0.45) GAARAD52MAPTGFERDRD2
SCHEMBL10277927 0.79 DRD2 (0.42) GAARAD52MAPTGFERDRD2
SCHEMBL10278255 0.78 MAPT (0.60) GAARAD52MAPTGFERKDM4E
SCHEMBL13354909 0.78 DRD2 (0.53) MAPTDRD2KDM4ESMN1; SMN2HRH3
SCHEMBL26143861 0.78 KDM4E (0.56) GAAMAPTKDM4ESMN1; SMN2HRH3

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 GAA 3904/4885RAD52 4165/4885MAPT 1330/4885

“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.