SCHEMBL3435014

SCHEMBL3435014

CN(CC(N)=O)C1CCCNCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
CYP2D6 P10635 1/20 0.37
GLI1 P08151 1/20 0.34
EPHX1 P07099 1/20 0.33
SLC6A4 P31645 5/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3436142 0.93 DDB1 (0.45) DDB1CRBNNOS3NOS1NOS2
SCHEMBL3434153 0.87 KDM4E (0.44) DDB1CRBNNOS3NOS1NOS2
SCHEMBL8418672 0.86 DDB1 (0.46) DDB1CRBNKMT2AALDH1A1L3MBTL1
SCHEMBL8418673 0.86 DDB1 (0.46) DDB1CRBNKMT2AALDH1A1L3MBTL1
SCHEMBL2018032 0.84 DDB1 (0.45) DDB1CRBNKMT2AALDH1A1L3MBTL1
SCHEMBL3436141 0.83 DDB1 (0.43) DDB1CRBNNOS3NOS1NOS2
SCHEMBL7812304 0.80 SLC6A4 (0.36) DDB1CRBNNOS3NOS1NOS2
SCHEMBL2018812 0.80
SCHEMBL13209101 0.77 GABRA5 (0.40) ALDH1A1
SCHEMBL8851488 0.75 SLC6A4 (0.35) NOS3NOS1NOS2GLI1EPHX1

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 DDB1 3850/4885CRBN 1103/4885NOS3 1298/4885

“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.