SCHEMBL21153822

SCHEMBL21153822

O=CCOc1ccc(CCNCCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
BCHE P06276 5/20 0.58
TAAR1 Q96RJ0 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
S1PR1 P21453 3/20 0.50
SIGMAR1 Q99720 2/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
S1PR3 Q99500 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 1/20 0.49
ATM Q13315 1/20 0.49
CA4 P22748 1/20 0.49

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
SCHEMBL23033458 0.85 BCHE (0.68) GAABCHETAAR1MEN1KMT2A
SCHEMBL10447514 0.81 L3MBTL1 (0.59) GAABCHETAAR1MEN1KMT2A
SCHEMBL21153878 0.79 GAA (0.64) GAABCHETAAR1MEN1KMT2A
SCHEMBL28724147 0.79 LMNA (0.60) GAABCHECA12CA1CA2
Phenylethyl Alcohol SCHEMBL28230089 0.78 TDP1 (0.55) GAATAAR1MEN1KMT2ADRD2
SCHEMBL50487 0.78 AOC3 (0.54) TAAR1DRD2DRD4DRD3
SCHEMBL5216666 0.76 GAA (0.73) GAABCHETAAR1MEN1KMT2A
SCHEMBL15401251 0.76 AOC3 (0.52) TAAR1DRD2DRD4DRD3
SCHEMBL6658911 0.76 AOC3 (0.52) TAAR1DRD2DRD4DRD3
SCHEMBL28366510 0.76 AOC3 (0.52) TAAR1DRD2DRD4DRD3

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-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION ACELOT, INC. 2020-07-16 US disclosed
US-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation ACELOT, INC. 2019-07-11 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 (2 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-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation APP, PSEN2, PSEN1 GAA 401/4885BCHE 36/4885TAAR1 2452/4885
US-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION APP, PSEN2, PSEN1 GAA 401/4885BCHE 36/4885TAAR1 2452/4885

“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.