SCHEMBL3434276

SCHEMBL3434276

C[C@@H]1CN(CC(N)=O)[C@@H](C)CN1c1ccccc1N

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.53
C5AR1 P21730 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 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
SCHEMBL3435656 1.00 SLC6A9 (0.53) SLC6A9C5AR1DRD2DRD4MEN1
SCHEMBL3436282 0.86 SLC6A9 (0.53) SLC6A9C5AR1DRD2DRD4SIRT2
SCHEMBL3436283 0.86 SLC6A9 (0.53) SLC6A9C5AR1DRD2DRD4SIRT2
SCHEMBL3434159 0.82 SLC6A9 (0.49) SLC6A9C5AR1MEN1KMT2ASIRT2
SCHEMBL3436233 0.82 SLC6A9 (0.49) SLC6A9C5AR1MEN1KMT2ASIRT2
SCHEMBL3435588 0.76 HDAC1 (0.40) DRD2DRD4SIRT2SIRT1TLR8
SCHEMBL3435649 0.75 MEN1 (0.45) DRD2MEN1USP2GAAKMT2A
SCHEMBL5995588 0.66 SLC6A9 (1.00) SLC6A9
SCHEMBL5995583 0.66 SLC6A9 (1.00) SLC6A9
SCHEMBL5996602 0.65 SLC6A9 (1.00) SLC6A9DRD2DRD4

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 SLC6A9 3516/4885C5AR1 1309/4885DRD2 3571/4885

“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.