SCHEMBL6176496

SCHEMBL6176496

CC(C)(C)OC(=O)NCC1COCCN1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SCN9A Q15858 1/20 0.46
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
DRD2 P14416 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
IDO1 P14902 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
SCHEMBL6176499 1.00 KMT2A (0.47) KMT2AL3MBTL1SCN9ANPFFR1NPFFR2
SCHEMBL31048352 0.94 KMT2A (0.47) KMT2AL3MBTL1SCN9ANPFFR1NPFFR2
SCHEMBL10682348 0.85 KMT2A (0.51) KMT2AL3MBTL1NPFFR1NPFFR2SIGMAR1
SCHEMBL5650658 0.84 SCN9A (0.47) SCN9AALDH1A1
SCHEMBL14290582 0.83 OPRM1 (0.55) KMT2AL3MBTL1SIGMAR1DRD2OPRM1
SCHEMBL9091685 0.83 OPRM1 (0.55) KMT2AL3MBTL1SIGMAR1DRD2OPRM1
SCHEMBL14357537 0.81 SIGMAR1 (0.52) KMT2AL3MBTL1NPFFR1NPFFR2SIGMAR1
SCHEMBL30452743 0.81 MEN1 (0.46) KMT2ASIGMAR1DRD2
SCHEMBL1597242 0.81 SCN9A (0.49) L3MBTL1SCN9AALDH1A1CKS1BSKP1
SCHEMBL15722751 0.80 SIGMAR1 (0.51) KMT2AL3MBTL1NPFFR1NPFFR2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943160-B2 Morpholine derivatives as antagonists of orexin receptors SMITHKLINE BEECHAM PLC (GB) 2005-09-13 US disclosed
EP-1353918-B1 MORPHOLINE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2005-01-12 EP disclosed
US-20040058921-A1 Morpholine derivatives as antagonists of orexin receptors SMITHKLINE BEECHAM PLC (GB) 2004-03-25 US disclosed
EP-1353918-A1 MORPHOLINE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP disclosed
WO-2002044172-A1 MORPHOLINE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-06 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 (1 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-20040058921-A1 Morpholine derivatives as antagonists of orexin receptors HCRTR2, HCRTR1, OXTR KMT2A 1246/4885L3MBTL1 4642/4885SCN9A 1431/4885

“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.