SCHEMBL21754749

SCHEMBL21754749

CCCCN1C(=O)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
ALDH2 P05091 1/20 0.73
ALDH3A1 P30838 1/20 0.73
CDC25A P30304 10/20 0.71
CES1 P23141 3/20 0.71
MAPT P10636 2/20 0.58
BCHE P06276 1/20 0.56
DRD2 P14416 1/20 0.55
HTR6 P50406 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL3019788 0.89 ALDH1A1 (0.90) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL19297268 0.89 ALDH1A1 (0.62) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL29511230 0.86 CHRM2 (0.61) ALDH1A1ALDH2ALDH3A1
SCHEMBL149620 0.86 CHRM2 (0.61) ALDH1A1ALDH2ALDH3A1
Hydrochloric Acid SCHEMBL10957581 0.85 CHRM2 (0.59) ALDH1A1ALDH2ALDH3A1
SCHEMBL281625 0.84 ALDH1A1 (1.00) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL282035 0.83 CDC25A (1.00) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL3016105 0.83 CDC25A (1.00) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL7067149 0.83 ALDH1A1 (0.74) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL30382960 0.83 CDC25A (0.77) ALDH1A1ALDH2ALDH3A1CDC25ACES1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570148-B2 N-alkyl-2-phenoxyethanamines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-02-25 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-10570148-B2 N-alkyl-2-phenoxyethanamines, their preparation and use HRH3, CBR3, KCNH3 ALDH1A1 2874/4885ALDH2 3181/4885ALDH3A1 1123/4885

“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.