SCHEMBL3435588

SCHEMBL3435588

NC(=O)CN1CC2CC1CN2c1ccccc1N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.40
SIRT1 Q96EB6 4/20 0.39
SIRT2 Q8IXJ6 2/20 0.39
CYP2C19 P33261 1/20 0.35
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
RAB9A P51151 1/20 0.33
LTA4H P09960 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 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
SCHEMBL3436312 0.85 SIRT1 (0.40) HDAC1SIRT1SIRT2TLR9TLR8
SCHEMBL3434229 0.81 SIRT2 (0.44) SIRT1SIRT2
SCHEMBL4506882 0.78 HDAC1 (0.51) HDAC1SIRT1
SCHEMBL3435656 0.76 SLC6A9 (0.53) SIRT1SIRT2TLR8TLR7DRD2
SCHEMBL3434276 0.76 SLC6A9 (0.53) SIRT1SIRT2TLR8TLR7DRD2
SCHEMBL4186458 0.74 DRD2 (0.55) HDAC1TLR9TLR8TLR7DRD2
SCHEMBL31008735 0.70 HSD11B1 (0.33) TLR9TLR8TLR7RAB9A
SCHEMBL30226481 0.70 HSD11B1 (0.33) TLR9TLR8TLR7RAB9A
SCHEMBL31009117 0.70 HSD11B1 (0.33) TLR9TLR8TLR7RAB9A
SCHEMBL3435649 0.67 MEN1 (0.45) SIRT1SIRT2CYP2C19DRD2

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 4 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-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
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 HDAC1 372/4885SIRT1 225/4885SIRT2 529/4885

“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.