SCHEMBL8060864

SCHEMBL8060864

CC(C)N(CC[C@@H](O)c1ccc2ccccc2c1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
UGT2B7 P16662 1/20 0.46
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
UTS2R Q9UKP6 2/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL2888672 1.00 AOC3 (0.48) AOC3MEN1CYP1A2CYP2D6TSHR
SCHEMBL13025061 1.00 AOC3 (0.48) AOC3MEN1CYP1A2CYP2D6TSHR
SCHEMBL13066675 0.97 AOC3 (0.43) AOC3MEN1CYP1A2CYP2D6TSHR
SCHEMBL8082126 0.94 AOC3 (0.47) AOC3MEN1CYP1A2CYP2D6TSHR
SCHEMBL13025049 0.90 HDAC1 (0.49) AOC3MEN1CYP1A2CYP2D6TSHR
SCHEMBL8075567 0.89 ABCB11 (0.48) MEN1CYP1A2TSHRKMT2AOPRK1
SCHEMBL13024990 0.89 MEN1 (0.50) AOC3MEN1CYP1A2CYP2D6TSHR
SCHEMBL13025079 0.88 AOC3 (0.41) AOC3MEN1CYP1A2CYP2D6TSHR
SCHEMBL8075773 0.88 OPRK1 (0.46) CYP2D6UGT2B7OPRD1OPRK1UTS2R
SCHEMBL8076964 0.88 CYP2D6 (0.44) AOC3MEN1CYP1A2CYP2D6TSHR

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-20100286164-A1 SUBSTITUTED ARYL ALKYLAMINO-OXY-ANALOGS AND USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC (US) 2010-11-11 US disclosed
US-20100286164-A1 SUBSTITUTED ARYL ALKYLAMINO-OXY-ANALOGS AND USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC (US) 2010-11-11 US disclosed
WO-2009051661-A2 SUBSTITUTED ARYL ALKYLAMINO-OXY-ANALOGS AND USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2009-04-23 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-20100286164-A1 SUBSTITUTED ARYL ALKYLAMINO-OXY-ANALOGS AND USES THEREOF BACE1, BACE2, APP AOC3 129/4885MEN1 4520/4885CYP1A2 259/4885

“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.