SCHEMBL6512055

SCHEMBL6512055

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.45
HRH3 Q9Y5N1 3/20 0.39
SLC6A4 P31645 2/20 0.39
OPRK1 P41145 4/20 0.38
KCNH2 Q12809 3/20 0.38
OPRM1 P35372 2/20 0.38
ESR1 P03372 4/20 0.38
OPRD1 P41143 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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 0.94 NR1H3 (0.44) NR1H3HRH3SLC6A4OPRK1KCNH2
SCHEMBL6515170 0.93 NR1H3 (0.44) NR1H3HRH3SLC6A4OPRK1KCNH2
SCHEMBL6519456 0.92 NR1H3 (0.43) NR1H3HRH3SLC6A4KCNH2OPRM1
SCHEMBL6564859 0.90 NR1H3 (0.42) NR1H3HRH3SLC6A4MEN1KMT2A
SCHEMBL6515354 0.89 NR1H3 (0.54) NR1H3OPRK1KCNH2OPRM1ESR1
SCHEMBL6510586 0.89 NR1H3 (0.48) NR1H3HRH3SLC6A4MEN1KMT2A
SCHEMBL6519566 0.89 NR1H3 (0.42) NR1H3OPRK1OPRM1OPRD1ALDH1A1
SCHEMBL6515253 0.88 OPRK1 (0.51) NR1H3OPRK1KCNH2OPRM1OPRD1
SCHEMBL6567185 0.84 NR1H3 (0.43) NR1H3HRH3SLC6A4OPRK1KCNH2
SCHEMBL6515535 0.84 NR1H3 (0.46) NR1H3MEN1KMT2AALDH1A1KDM4E

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 1/4885HRH3 2306/4885SLC6A4 2582/4885
US-20040072868-A1 Substitued aminopropoxyaryl derivatives useful as agonists for lxr NR1H2, NR1H3, NR1H4 NR1H3 2/4885HRH3 2126/4885SLC6A4 2618/4885

“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.