SCHEMBL6512042

SCHEMBL6512042

NC(=O)c1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)C2CCN(CCc3ccccc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.51
OPRK1 P41145 5/20 0.46
OPRM1 P35372 9/20 0.46
OPRD1 P41143 4/20 0.46
KCNH2 Q12809 2/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 2/20 0.44
HTR2A P28223 1/20 0.44
CCR5 P51681 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL6519255 0.90 NR1H3 (0.55) NR1H3OPRM1KCNH2KMT2ACCR5
SCHEMBL6566796 0.87 NR1H3 (0.53) NR1H3OPRK1OPRM1OPRD1KCNH2
SCHEMBL6515334 0.87 NR1H3 (0.53) NR1H3OPRK1OPRM1OPRD1KCNH2
SCHEMBL6512193 0.86 NR1H3 (0.52) NR1H3OPRK1OPRM1OPRD1KCNH2
SCHEMBL6515354 0.85 NR1H3 (0.54) NR1H3OPRK1OPRM1OPRD1KCNH2
SCHEMBL6515267 0.85 NR1H3 (0.50) NR1H3OPRK1OPRM1OPRD1CCR5
SCHEMBL6512217 0.85 NR1H3 (0.56) NR1H3OPRK1OPRM1OPRD1KCNH2
SCHEMBL6515000 0.83 NR1H3 (0.51) NR1H3OPRK1OPRM1OPRD1KCNH2
SCHEMBL6564837 0.83 NR1H3 (0.53) NR1H3OPRK1OPRM1OPRD1KCNH2
SCHEMBL6515253 0.81 OPRK1 (0.51) NR1H3OPRK1OPRM1OPRD1KCNH2

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 10 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
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 1/4885OPRK1 618/4885OPRM1 1364/4885
US-20040072868-A1 Substitued aminopropoxyaryl derivatives useful as agonists for lxr NR1H2, NR1H3, NR1H4 NR1H3 2/4885OPRK1 465/4885OPRM1 891/4885

“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.