SCHEMBL3550856

SCHEMBL3550856

Cc1ccccc1N1CCN(CNO)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.51
ATM Q13315 3/20 0.50
ADRA1A P35348 2/20 0.50
ADRB1 P08588 1/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
ADRA1D P25100 1/20 0.49
ADRA1B P35368 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL10278375 0.94 ADRA1B (0.48) HTR7ATMADRA1AADRB1DRD2
SCHEMBL14067200 0.81 HTR7 (0.59) HTR7ATMADRA1AADRB1ADRA1D
SCHEMBL3551183 0.81 ALDH1A1 (0.61) ADRA1ADRD2DRD3ADRA1BKMT2A
SCHEMBL3553897 0.81 IGF1R (0.53) DRD2MAPTGAAHTT
SCHEMBL4291189 0.80 ADRB1 (0.72) HTR7ATMADRA1AADRB1ADRA1D
SCHEMBL12126914 0.79 GAA (0.58) HTR7ATMADRA1AADRB1DRD2
SCHEMBL3552347 0.78 DRD2 (0.47) DRD2DRD3KMT2AHTT
SCHEMBL3552481 0.78 ALDH1A1 (0.47) KMT2AGAA
SCHEMBL3546173 0.78 DRD2 (0.51) DRD2DRD3KMT2ALMNAMAPT
SCHEMBL7289302 0.78 DRD2 (0.58) HTR7ATMADRA1AADRB1DRD2

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 HTR7 1361/4885ATM 1967/4885ADRA1A 135/4885

“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.