SCHEMBL17501732

SCHEMBL17501732

CNCCOc1ccc(Cl)cc1C(C)(C)C

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.78
ALDH1A1 P00352 6/20 0.78
LMNA P02545 4/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
MAPK1 P28482 3/20 0.70
HTT P42858 1/20 0.70
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TDP1 Q9NUW8 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GAA P10253 4/20 0.56
RBP4 P02753 1/20 0.45
HTR1B P28222 1/20 0.41

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
SCHEMBL13894563 0.91 KDM4E (0.78) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL21595770 0.80 MAPT (0.56) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL16095085 0.80 KDM4E (0.56) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL21595803 0.79 KDM4E (0.56) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL12401838 0.78 LMNA (0.57) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL12409192 0.78 LMNA (0.62) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL21601214 0.78 SLC6A4 (0.53) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL21601506 0.78 L3MBTL4 (0.56) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL2176957 0.77 LMNA (0.60) KDM4EALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL10253683 0.77 ALDH1A1 (0.82) KDM4EALDH1A1LMNASMN1; SMN2MAPK1

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 KDM4E 723/4885ALDH1A1 2874/4885LMNA 1859/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 KDM4E 723/4885ALDH1A1 2874/4885LMNA 1859/4885
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 KDM4E 723/4885ALDH1A1 2874/4885LMNA 1859/4885

“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.