SCHEMBL6519456

SCHEMBL6519456

CCOC(=O)N1CCC(N(CCCOc2cccc(C(N)=O)c2)CC(c2ccccc2)C2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.43
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
PARP10 Q53GL7 1/20 0.39
ESR1 P03372 2/20 0.38
CYP3A4 P08684 2/20 0.38
CHRM2 P08172 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL6519566 0.93 NR1H3 (0.42) NR1H3SMN1; SMN2RAB9ANPC1OPRM1
SCHEMBL6512055 0.92 NR1H3 (0.45) NR1H3KDM4EMAPTPARP10ESR1
SCHEMBL6515545 0.91 NR1H3 (0.44) NR1H3PARP10ESR1OPRM1KCNH2
SCHEMBL6564859 0.91 NR1H3 (0.42) NR1H3KDM4ESLC6A4HRH3
SCHEMBL6515170 0.91 NR1H3 (0.44) NR1H3PARP10OPRM1KCNH2SLC6A4
SCHEMBL6515000 0.90 NR1H3 (0.51) NR1H3KDM4EL3MBTL1HRH2HRH1
SCHEMBL6515253 0.86 OPRK1 (0.51) NR1H3CHRM2OPRM1KCNH2CCR5
SCHEMBL6513610 0.84 NR1H3 (0.45) NR1H3KDM4ESMN1; SMN2MAPTRAB9A
SCHEMBL6567185 0.82 NR1H3 (0.43) NR1H3ESR1OPRM1KCNH2SLC6A4
SCHEMBL6515267 0.82 NR1H3 (0.50) NR1H3SMN1; SMN2RAB9ANPC1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1/4885KDM4E 1919/4885L3MBTL1 4071/4885
US-20040072868-A1 Substitued aminopropoxyaryl derivatives useful as agonists for lxr NR1H2, NR1H3, NR1H4 NR1H3 2/4885KDM4E 2826/4885L3MBTL1 3070/4885

“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.