SCHEMBL6520045

SCHEMBL6520045

NC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)C2CCN(C(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 11/20 0.53
SMN1; SMN2 Q16637 3/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NR1H2 P55055 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
MAPT P10636 1/20 0.42
RXRA P19793 1/20 0.42
VHL P40337 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
CCR5 P51681 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL6511945 0.93 NR1H3 (0.55) NR1H3SMN1; SMN2NPC1RAB9ANR1H2
SCHEMBL6521358 0.91 NR1H3 (0.57) NR1H3NR1H2ALDH1A1MEN1NR1I2
SCHEMBL6515267 0.90 NR1H3 (0.50) NR1H3SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL6513610 0.90 NR1H3 (0.45) NR1H3SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL6513593 0.89 NR1H3 (0.57) NR1H3NR1H2ALDH1A1MEN1NR1I2
SCHEMBL6563550 0.89 NR1H3 (0.54) NR1H3NR1H2ALDH1A1MEN1NR1I2
SCHEMBL6515146 0.88 NR1H3 (0.55) NR1H3SMN1; SMN2NR1H2ALDH1A1MEN1
SCHEMBL6510639 0.85 NR1H3 (0.61) NR1H3NR1H2ALDH1A1MEN1NR1I2
SCHEMBL6519255 0.85 NR1H3 (0.55) NR1H3NR1H2ALDH1A1MEN1NR1I2
SCHEMBL6515000 0.82 NR1H3 (0.51) NR1H3SMN1; SMN2NPC1RAB9ANR1H2

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 1/4885SMN1; SMN2 4850/4885CYP2C19 449/4885
US-20040072868-A1 Substitued aminopropoxyaryl derivatives useful as agonists for lxr NR1H2, NR1H3, NR1H4 NR1H3 2/4885SMN1; SMN2 4676/4885CYP2C19 412/4885

“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.