SCHEMBL2438451

SCHEMBL2438451

Cc1cc(N2CCOCC2)cc(C)c1NC(=O)CCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 10/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALOX15 P16050 1/20 0.47
USP2 O75604 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNQ2 O43526 2/20 0.46
TSHR P16473 1/20 0.45
PSMB5 P28074 1/20 0.45
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2434625 0.93 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EL3MBTL1ALOX15
SCHEMBL2434903 0.90 MAPT (0.48) ALDH1A1MAPTKDM4EL3MBTL1ALOX15
SCHEMBL30794869 0.90 MAPT (0.48) ALDH1A1MAPTKDM4EL3MBTL1ALOX15
SCHEMBL2435718 0.90 MAPT (0.42) ALDH1A1MAPTKDM4EL3MBTL1ALOX15
SCHEMBL30795157 0.90 MAPT (0.42) ALDH1A1MAPTKDM4EL3MBTL1ALOX15
SCHEMBL3158144 0.86 MAPT (0.55) ALDH1A1MAPTKDM4EL3MBTL1ALOX15
SCHEMBL2432797 0.85 CNR1 (0.58) ALDH1A1MAPTKDM4EL3MBTL1ALOX15
SCHEMBL2435843 0.84 CNR1 (0.60) ALDH1A1MAPTKDM4EL3MBTL1ALOX15
SCHEMBL2436162 0.84 CNR1 (0.60) ALDH1A1MAPTKDM4EL3MBTL1ALOX15
SCHEMBL972064 0.83 KDM4E (0.48) ALDH1A1MAPTKDM4EL3MBTL1MEN1

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-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
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
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 ALDH1A1 1816/4885MAPT 176/4885KDM4E 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.