SCHEMBL2434581

SCHEMBL2434581

COc1cc(N2CCOCC2)cc(C)c1NC(=O)CCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.44
USP2 O75604 1/20 0.43
PKM P14618 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
LMNA P02545 1/20 0.41
PSMB5 P28074 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL30794395 1.00 MAPT (0.45) MAPTALDH1A1KDM4EL3MBTL1ALOX15
SCHEMBL2434903 0.94 MAPT (0.48) MAPTALDH1A1KDM4EL3MBTL1ALOX15
SCHEMBL30794869 0.94 MAPT (0.48) MAPTALDH1A1KDM4EL3MBTL1ALOX15
SCHEMBL2434625 0.90 ALDH1A1 (0.50) MAPTALDH1A1KDM4EL3MBTL1ALOX15
SCHEMBL2435116 0.85 CNR1 (0.52) MAPTALDH1A1KDM4EL3MBTL1ALOX15
SCHEMBL30795862 0.85 CNR1 (0.52) MAPTALDH1A1KDM4EL3MBTL1ALOX15
SCHEMBL2438451 0.83 ALDH1A1 (0.48) MAPTALDH1A1KDM4EL3MBTL1ALOX15
SCHEMBL2439684 0.83 KCNQ2 (0.60) MAPTL3MBTL1KCNQ3KCNQ2
SCHEMBL30794550 0.83 KCNQ2 (0.60) MAPTL3MBTL1KCNQ3KCNQ2
SCHEMBL2438382 0.80 MAPT (0.48) MAPTALDH1A1KDM4EL3MBTL1PKM

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
EP-1947093-B9 Substituted morpholine and thiomorpholine derivatives LUNDBECK & CO AS H (DK) 2010-03-03 EP claimed
EP-1947093-B1 Substituted morpholine and thiomorpholine derivatives LUNDBECK & CO AS H (DK) 2009-09-23 EP claimed
US-8012962-B2 Substituted thiomorpholine derivatives H. LUNDBECK A/S (DK) 2011-09-06 US disclosed
US-7632835-B2 2-Cyclopentyl-N-(2-bromo-6-trifluoromethyl-4-(thio)morpholin-4-yl-phenyl)-acetamide; potent openers of the KCNQ family of potassium ion channels; antiepileptic agents; anticonvulsants; anxiolytic agents; neurodegenerative disorders; analgesics for headaches, neuropathic pain; bipolar disorders H. LUNDBECK A/S (DK) 2009-12-15 US disclosed
US-20090137571-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2009-05-28 US 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-20090137571-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRD1 MAPT 176/4885ALDH1A1 1816/4885KDM4E 4253/4885

“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.