SCHEMBL13428484

SCHEMBL13428484

CN(CCc1ccccc1)CC(C)(C)N

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.55
TAAR1 Q96RJ0 2/20 0.53
SIGMAR1 Q99720 8/20 0.53
SLC6A2 P23975 1/20 0.48
FDPS P14324 1/20 0.46

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
SCHEMBL9278404 0.85 TAAR1 (0.57) AOC3TAAR1SIGMAR1FDPS
SCHEMBL4482337 0.81 CARM1 (0.55) AOC3TAAR1SIGMAR1SLC6A2
Demelverine SCHEMBL1516521 0.80 SIGMAR1 (0.76) AOC3TAAR1SIGMAR1SLC6A2FDPS
SCHEMBL9768687 0.78 SIGMAR1 (0.73) AOC3TAAR1SIGMAR1SLC6A2FDPS
SCHEMBL28814049 0.77 SIGMAR1 (0.49) AOC3TAAR1SIGMAR1FDPS
SCHEMBL20804036 0.77 SIGMAR1 (0.49) AOC3TAAR1SIGMAR1FDPS
SCHEMBL12569401 0.76 AOC3 (0.63) AOC3TAAR1SIGMAR1
SCHEMBL8210535 0.75 CARM1 (0.68) AOC3TAAR1SIGMAR1SLC6A2FDPS
SCHEMBL10145827 0.75 AOC3 (0.61) AOC3TAAR1SIGMAR1SLC6A2
SCHEMBL8402960 0.74 SIGMAR1 (0.71) AOC3TAAR1SIGMAR1

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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 AOC3 1413/4885TAAR1 823/4885SIGMAR1 1900/4885

“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.