SCHEMBL16094889

SCHEMBL16094889

CCOC(=O)C(=O)N(C)CCOc1ccccc1C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 5/20 0.61
RBP4 P02753 3/20 0.55
GAA P10253 4/20 0.48
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
NAMPT P43490 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL16127819 0.84 KDM4E (0.75) KDM4EALDH1A1RBP4GAARXRA
SCHEMBL17515793 0.84 KDM4E (0.67) KDM4EALDH1A1RBP4GAARXRA
SCHEMBL17501736 0.80 KDM4E (0.68) KDM4EALDH1A1RBP4GAARXRA
SCHEMBL16127815 0.76 KDM4E (0.62) KDM4EALDH1A1RBP4GAARXRA
SCHEMBL8129763 0.75 KDM4E (0.82) KDM4EALDH1A1RBP4GAAMAPK1
SCHEMBL17515795 0.74 KDM4E (0.60) KDM4EALDH1A1RBP4GAARXRA
SCHEMBL7898197 0.73 USP2 (0.56) KDM4EALDH1A1GAARXRARXRB
SCHEMBL17515813 0.72 KDM4E (0.57) KDM4EALDH1A1RBP4GAARXRA
SCHEMBL17515794 0.72 ALDH1A1 (0.57) KDM4EALDH1A1RBP4GAARXRA
SCHEMBL21686074 0.72 ALDH1A1 (0.63) KDM4EALDH1A1RBP4GAARXRA

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 6 patents. 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
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
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-08-09 US disclosed
US-9938291-B2 N-alkyl-2-phenoxyethanamines, their preparation and use THE TRUSTESS OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-10 US disclosed
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 US disclosed
WO-2014151959-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-25 WO 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 (3 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 KDM4E 723/4885ALDH1A1 2874/4885RBP4 4480/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 KDM4E 723/4885ALDH1A1 2874/4885RBP4 4480/4885
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 KDM4E 723/4885ALDH1A1 2874/4885RBP4 4480/4885

“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.