SCHEMBL1033025

SCHEMBL1033025

CCCN(CCOc1ncc(N)cc1C)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.41
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
LTA4H P09960 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
PDK1 Q15118 1/20 0.36
EBP Q15125 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL1032489 0.79 BCHE (0.41) BCHETSHRHSD17B10MAOBHRH3
SCHEMBL5648620 0.75 L3MBTL1 (0.47) TSHRMAOBMAPTCYP1A2LTA4H
SCHEMBL14928306 0.74 KDM4E (0.40) HSD17B10MAPTMEN1KMT2AHTT
SCHEMBL1031756 0.74 BCHE (0.43) BCHETSHRHSD17B10HRH3CYP1A2
SCHEMBL1031781 0.71 BCHE (0.41) BCHETSHRMEN1KMT2AEBP
SCHEMBL13450920 0.71 BCHE (0.57) BCHETSHRHSD17B10MAOBMEN1
SCHEMBL330083 0.71 HRH3 (0.68) BCHETSHRHSD17B10HRH3MAPT
Hydrochloric Acid SCHEMBL17710415 0.69 HRH3 (0.65) BCHETSHRHSD17B10HRH3MAPT
Water SCHEMBL28117059 0.69 HRH3 (0.65) BCHETSHRHSD17B10HRH3MAPT
SCHEMBL3156308 0.68 MAPT (0.62) BCHEMAOBHRH3MAPT

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 3 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

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 BCHE 1283/4885TSHR 127/4885HSD17B10 1380/4885

“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.