SCHEMBL1027137

SCHEMBL1027137

CCCN(CCOc1ccc(N)c(C)n1)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPBWR1 P48145 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCHR1 Q99705 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
SCN1A P35498 2/20 0.33
KCNH2 Q12809 2/20 0.33
SCN2A Q99250 2/20 0.33
SCN3A Q9NY46 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HIF1A Q16665 1/20 0.33
RAD52 P43351 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL1032439 0.88 SSTR4 (0.33) SSTR4ALDH1A1NPBWR1SMN1; SMN2MCHR1
SCHEMBL1032190 0.84 KDM4E (0.39) SSTR4ALDH1A1CYP1A2CYP2D6KCNH2
SCHEMBL1027194 0.82 KDM4E (0.36) SSTR4CYP1A2CYP2D6SCN1AKCNH2
SCHEMBL4890440 0.77 ADRB3 (0.40) ALDH1A1SMN1; SMN2CYP1A2TSHRCYP3A4
SCHEMBL6764285 0.76 LMNA (0.37) SSTR4ALDH1A1CYP1A2CYP2D6SCN1A
SCHEMBL1030746 0.76 TXNRD1 (0.36) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1033415 0.74 SSTR4 (0.31) SSTR4
SCHEMBL4900712 0.74 KDM4E (0.36) SSTR4CYP1A2CYP2D6SCN1ASCN2A
SCHEMBL6767206 0.74 THRA (0.39) SSTR4ALDH1A1NPBWR1SMN1; SMN2MCHR1
SCHEMBL2608081 0.71 CA14 (0.49) SSTR4ALDH1A1TSHRHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383641-B2 Aryloxyethylamine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-02-26 US disclosed
EP-2013179-B1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-01-19 EP disclosed
US-20090143383-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-06-04 US disclosed
EP-2013179-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-01-14 EP disclosed
WO-2007118859-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 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 (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-20090143383-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, DRD3, MC3R SSTR4 132/4885ALDH1A1 671/4885NPBWR1 227/4885

“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.