SCHEMBL6515253

SCHEMBL6515253

NC(=O)c1cccc(OCCCN(CC(c2ccccc2)C2CCCCC2)C2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.51
NR1H3 Q13133 1/20 0.44
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
CCR5 P51681 1/20 0.39
CHEK2 O96017 1/20 0.39
MET P08581 1/20 0.39
FAAH O00519 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM3 P20309 2/20 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
SCHEMBL6515545 0.90 NR1H3 (0.44) OPRK1NR1H3OPRM1OPRD1KMT2A
SCHEMBL6515170 0.89 NR1H3 (0.44) OPRK1NR1H3OPRM1OPRD1KMT2A
SCHEMBL6512055 0.88 NR1H3 (0.45) OPRK1NR1H3OPRM1OPRD1KMT2A
SCHEMBL6519566 0.88 NR1H3 (0.42) OPRK1NR1H3OPRM1OPRD1CCR5
SCHEMBL6519456 0.86 NR1H3 (0.43) NR1H3OPRM1KCNH2CCR5CHRM2
SCHEMBL6566798 0.86 NR1H3 (0.45) OPRK1NR1H3OPRM1OPRD1KCNH2
SCHEMBL6564859 0.85 NR1H3 (0.42) NR1H3KMT2ACHEK2
SCHEMBL6515535 0.83 NR1H3 (0.46) NR1H3KMT2ACCR5FAAH
SCHEMBL6567185 0.82 NR1H3 (0.43) OPRK1NR1H3OPRM1OPRD1KMT2A
SCHEMBL6512042 0.81 NR1H3 (0.51) OPRK1NR1H3OPRM1OPRD1KMT2A

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