SCHEMBL3553792

SCHEMBL3553792

Cc1cccnc1N1CCN(CNO)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.50
TRPV1 Q8NER1 4/20 0.49
HSD11B1 P28845 1/20 0.48
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
TGM3 Q08188 1/20 0.43
AOC3 Q16853 1/20 0.41
CHIA Q9BZP6 1/20 0.41

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
SCHEMBL4402731 0.78 DRD4 (0.54) DRD4TRPV1HSD11B1AOC3
SCHEMBL3436405 0.77 TRPV1 (0.50) DRD4TRPV1HSD11B1F13A1TGM2
SCHEMBL5178342 0.76 HSD11B1 (0.56) TRPV1HSD11B1CHIA
SCHEMBL18228586 0.76 HSD11B1 (0.55) DRD4TRPV1HSD11B1
SCHEMBL11962834 0.76 HSD11B1 (0.55) DRD4TRPV1HSD11B1
SCHEMBL15966094 0.76 HSD11B1 (0.55) DRD4TRPV1HSD11B1
SCHEMBL3550856 0.75 HTR7 (0.51)
SCHEMBL3436628 0.75 HSD11B1 (0.49) DRD4TRPV1HSD11B1
SCHEMBL2614921 0.74 CYP1A2 (0.56) TRPV1HSD11B1
SCHEMBL3559294 0.73 HTR1A (0.37) DRD4

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 DRD4 4535/4885TRPV1 3/4885HSD11B1 3972/4885

“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.