SCHEMBL6510840

SCHEMBL6510840

NC(=O)Cc1cccc(OCCCN(Cc2ccc(F)c(F)c2)CC(c2ccccc2)C2CCCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 11/20 0.64
HCRTR2 O43614 2/20 0.45
NR1H2 P55055 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NR1I2 O75469 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RXRA P19793 1/20 0.43
VHL P40337 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
FFAR1 O14842 2/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
PPARD Q03181 1/20 0.38
HTT P42858 1/20 0.36
CCR5 P51681 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
SCHEMBL6943105 0.81 NR1H3 (0.64) NR1H3HCRTR2NR1H2MEN1KMT2A
SCHEMBL6513596 0.78 NR1H3 (0.76) NR1H3HCRTR2MEN1KMT2AALDH1A1
SCHEMBL6515269 0.78 NR1H3 (1.00) NR1H3HCRTR2NR1H2MEN1KMT2A
SCHEMBL6511961 0.77 NR1H3 (0.55) NR1H3NR1H2MEN1KMT2ARXRA
SCHEMBL6510586 0.77 NR1H3 (0.48) NR1H3NR1H2MEN1KMT2ANR1I2
SCHEMBL6512015 0.76 NR1H3 (0.64) NR1H3NR1H2MEN1KMT2ANR1I2
SCHEMBL6515535 0.76 NR1H3 (0.46) NR1H3NR1H2MEN1KMT2ANR1I2
SCHEMBL6510639 0.75 NR1H3 (0.61) NR1H3NR1H2MEN1KMT2ANR1I2
SCHEMBL6513610 0.75 NR1H3 (0.45) NR1H3NR1H2MEN1KMT2ANR1I2
SCHEMBL13764650 0.74 NR1H3 (0.78) NR1H3NR1H2MEN1KMT2ANR1I2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282908-A1 Substituted aminopropoxyaryl derivatives useful as agonists for LXR SMITHKLINE BEECHAM CORPORATION 2005-12-22 US claimed
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 1/4885HCRTR2 1158/4885NR1H2 2/4885
US-20040072868-A1 Substitued aminopropoxyaryl derivatives useful as agonists for lxr NR1H2, NR1H3, NR1H4 NR1H3 2/4885HCRTR2 1448/4885NR1H2 1/4885

“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.