SCHEMBL6521358

SCHEMBL6521358

NC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)C2CCN(C(=O)O)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 16/20 0.57
NR1H2 P55055 7/20 0.45
RXRA P19793 2/20 0.45
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
VHL P40337 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR5 P51681 1/20 0.42
FAAH O00519 2/20 0.41

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
SCHEMBL6513593 0.93 NR1H3 (0.57) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6515146 0.92 NR1H3 (0.55) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6511945 0.91 NR1H3 (0.55) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6520045 0.91 NR1H3 (0.53) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6563550 0.89 NR1H3 (0.54) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6510639 0.89 NR1H3 (0.61) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6519255 0.89 NR1H3 (0.55) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6566796 0.87 NR1H3 (0.53) NR1H3NR1H2RXRA
SCHEMBL6564806 0.87 NR1H3 (0.54) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6566799 0.86 NR1H3 (0.54) NR1H3NR1H2RXRAMEN1NR1I2

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 1/4885NR1H2 2/4885RXRA 28/4885
US-20040072868-A1 Substitued aminopropoxyaryl derivatives useful as agonists for lxr NR1H2, NR1H3, NR1H4 NR1H3 2/4885NR1H2 1/4885RXRA 21/4885

“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.