SCHEMBL6515336

SCHEMBL6515336

CCOC(=O)C1CC1CN(CCCOc1cccc(CC(N)=O)c1)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 13/20 0.60
NR1H2 P55055 4/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RXRA P19793 1/20 0.44
VHL P40337 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
PLA2G2A P14555 3/20 0.39
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6565757 0.90 NR1H3 (0.63) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL6513480 0.82 NR1H3 (0.60) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL6512015 0.80 NR1H3 (0.64) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL6566843 0.79 NR1H3 (0.61) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL6512025 0.78 NR1H3 (0.64) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL6515881 0.77 NR1H3 (0.60) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL6511945 0.76 NR1H3 (0.55) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL6512040 0.76 NR1H3 (0.61) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL6936967 0.74 NR1H3 (0.42) NR1H3ALDH1A1PLA2G2AMAPK1L3MBTL1
SCHEMBL6940623 0.74 NR1H3 (0.66) NR1H3NR1H2MEN1NR1I2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282908-A1 Substituted aminopropoxyaryl derivatives useful as agonists for LXR SMITHKLINE BEECHAM CORPORATION 2005-12-22 US claimed
EP-1318976-B1 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LTD (GB) 2004-11-24 EP claimed
US-20040072868-A1 Substitued aminopropoxyaryl derivatives useful as agonists for lxr SMITHKLINE BEECHAM CORPORATION 2004-04-15 US claimed
JP-2004509161-A 2004-03-25 JP claimed
EP-1318976-A2 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LIMITED (GB) 2003-06-18 EP claimed
WO-2002024632-A2 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LIMITED (GB) 2002-03-28 WO claimed
US-20050282908-A1 Substituted aminopropoxyaryl derivatives useful as agonists for LXR SMITHKLINE BEECHAM CORPORATION 2005-12-22 US disclosed
EP-1318976-B1 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LTD (GB) 2004-11-24 EP disclosed
US-20040072868-A1 Substitued aminopropoxyaryl derivatives useful as agonists for lxr SMITHKLINE BEECHAM CORPORATION 2004-04-15 US disclosed
EP-1318976-A2 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LIMITED (GB) 2003-06-18 EP disclosed
WO-2002024632-A2 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LIMITED (GB) 2002-03-28 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 (2 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-20050282908-A1 Substituted aminopropoxyaryl derivatives useful as agonists for LXR NR1H3, NR1H2, NR1H4 NR1H3 1/4885NR1H2 2/4885MEN1 4694/4885
US-20040072868-A1 Substitued aminopropoxyaryl derivatives useful as agonists for lxr NR1H2, NR1H3, NR1H4 NR1H3 2/4885NR1H2 1/4885MEN1 4550/4885

“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.