SCHEMBL6515267

SCHEMBL6515267

NC(=O)c1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)C2CCN(C(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 10/20 0.50
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
OPRK1 P41145 1/20 0.41
CCR5 P51681 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
RXRA P19793 1/20 0.40
NR1H2 P55055 1/20 0.40
GRIN2B Q13224 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MET P08581 1/20 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
SCHEMBL6515000 0.92 NR1H3 (0.51) NR1H3SMN1; SMN2NPC1RAB9AOPRK1
SCHEMBL6520045 0.90 NR1H3 (0.53) NR1H3SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL6519566 0.90 NR1H3 (0.42) NR1H3SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL6566796 0.89 NR1H3 (0.53) NR1H3OPRK1RXRANR1H2OPRM1
SCHEMBL6515334 0.89 NR1H3 (0.53) NR1H3OPRK1RXRANR1H2OPRM1
SCHEMBL6512193 0.88 NR1H3 (0.52) NR1H3OPRK1RXRANR1H2OPRM1
SCHEMBL6515354 0.87 NR1H3 (0.54) NR1H3OPRK1RXRANR1H2OPRM1
SCHEMBL6512042 0.85 NR1H3 (0.51) NR1H3OPRK1CCR5OPRM1OPRD1
SCHEMBL6511945 0.84 NR1H3 (0.55) NR1H3SMN1; SMN2NPC1RAB9ACCR5
SCHEMBL6512217 0.83 NR1H3 (0.56) NR1H3OPRK1RXRANR1H2OPRM1

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.