SCHEMBL17501753

SCHEMBL17501753

Cn1nc(C(=O)O)c2c1CCOC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 7/20 0.38
HCAR2 Q8TDS4 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
MAP3K14 Q99558 1/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
AURKA O14965 1/20 0.33
PLK1 P53350 1/20 0.33
GRM5 P41594 1/20 0.33
RORC P51449 1/20 0.32
F12 P00748 2/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL15730386 0.85 HCAR2 (0.42) HCAR2L3MBTL1POLBMAPTTDP1
SCHEMBL17505221 0.80 CCNA2 (0.39) UGCGL3MBTL1POLBCCNA2CDK2
SCHEMBL19659007 0.76 POLB (0.50) HCAR2L3MBTL1POLBMAPTTDP1
SCHEMBL18984188 0.76 GRM5 (0.47) HCAR2L3MBTL1POLBMAPTTDP1
SCHEMBL20674138 0.74 CCNA2 (0.42) L3MBTL1MAP3K14CCNA2CDK2CCNA1
SCHEMBL16920684 0.74 F12 (0.32) UGCGF12
SCHEMBL31587277 0.73
SCHEMBL31254250 0.71 CNR1 (0.35)
SCHEMBL22958106 0.70
SCHEMBL17234801 0.70 PDE10A (0.37)

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 4 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-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

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 UGCG 2807/4885HCAR2 424/4885L3MBTL1 3188/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 UGCG 2807/4885HCAR2 424/4885L3MBTL1 3188/4885
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 UGCG 2807/4885HCAR2 424/4885L3MBTL1 3188/4885

“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.