SCHEMBL2434918

SCHEMBL2434918

CCc1cc(N2CCOCC2)cc(CC)c1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
USP2 O75604 1/20 0.67
ALDH1A1 P00352 6/20 0.55
POLB P06746 4/20 0.55
LMNA P02545 3/20 0.55
KMT2A Q03164 6/20 0.53
MEN1 O00255 4/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
RECQL P46063 1/20 0.51
HTT P42858 1/20 0.51
THRB P10828 1/20 0.50
MAPK1 P28482 1/20 0.47

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
SCHEMBL5955438 0.79 MAPT (0.72) MAPTUSP2ALDH1A1POLBLMNA
SCHEMBL2437890 0.74 FFAR4 (0.56) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL9616536 0.72 FFAR4 (0.56) MAPTUSP2ALDH1A1POLBLMNA
SCHEMBL2437807 0.72 CYTH2 (0.54) MAPTALDH1A1POLBLMNAKMT2A
SCHEMBL9413501 0.69 MAPT (0.69) MAPTUSP2ALDH1A1POLBLMNA
SCHEMBL5956138 0.69 POLB (0.60) MAPTUSP2ALDH1A1POLBLMNA
SCHEMBL22501097 0.69 MAPT (0.65) MAPTUSP2ALDH1A1POLBKMT2A
SCHEMBL82183 0.69 MAPT (0.67) MAPTUSP2ALDH1A1LMNAKMT2A
SCHEMBL10807220 0.69 KDM4E (0.51) MAPTUSP2ALDH1A1POLBLMNA
SCHEMBL4550967 0.68 MAPT (0.61) MAPTUSP2ALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299075-B2 Substituted thiomorpholine derivatives H. LUNDBECK A/S (DK) 2012-10-30 US disclosed
US-20110294787-A1 SUBSTITUTED THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2011-12-01 US disclosed
US-8012962-B2 Substituted thiomorpholine derivatives H. LUNDBECK A/S (DK) 2011-09-06 US disclosed
US-7812023-B2 Methods of using substituted morpholine derivatives H. LUNDBECK A/S (DK) 2010-10-12 US disclosed
US-20100063033-A1 Methods of using substituted morpholine derivatives H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
US-20100063036-A1 Substituted morpholine and thiomorpholine derivatives H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
EP-1947093-B9 Substituted morpholine and thiomorpholine derivatives LUNDBECK & CO AS H (DK) 2010-03-03 EP disclosed
EP-2138487-A1 Substituted morpholine and thiomorpholine derivatives for the treatment of bipolar disorders H. Lundbeck A/S (DK) 2009-12-30 EP 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
EP-1947093-B1 Substituted morpholine and thiomorpholine derivatives LUNDBECK & CO AS H (DK) 2009-09-23 EP disclosed
US-20090143369-A1 METHODS OF USING SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
US-20090137571-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2009-05-28 US disclosed
US-7501414-B2 Substituted morpholine and thiomorpholine derivatives H. LUNDBECK A/S (DK) 2009-03-10 US disclosed
EP-1727809-B8 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES LUNDBECK & CO AS H (DK) 2008-10-29 EP disclosed
EP-1947093-A1 Substituted morpholine and thiomorpholine derivatives H. Lundbeck A/S (DK) 2008-07-23 EP disclosed
EP-1727809-B1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES LUNDBECK & CO AS H (DK) 2008-06-11 EP disclosed
EP-1727809-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP disclosed
US-20060167248-A1 Substituted morpholine and thiomorpholine derivatives H. LUNDBECK A/S (DK) 2006-07-27 US disclosed
WO-2005087754-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 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 (6 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-20060167248-A1 Substituted morpholine and thiomorpholine derivatives OPRM1, OPRK1, OPRD1 MAPT 169/4885USP2 4807/4885ALDH1A1 1668/4885
US-20100063033-A1 Methods of using substituted morpholine derivatives OPRM1, TPMT, SIGMAR1 MAPT 366/4885USP2 4823/4885ALDH1A1 1464/4885
US-20090137571-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRD1 MAPT 176/4885USP2 4794/4885ALDH1A1 1816/4885
US-20090143369-A1 METHODS OF USING SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES OPRM1, TPMT, OPRK1 MAPT 264/4885USP2 4719/4885ALDH1A1 1400/4885
US-20110294787-A1 SUBSTITUTED THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRL1 MAPT 359/4885USP2 4503/4885ALDH1A1 1483/4885
US-20100063036-A1 Substituted morpholine and thiomorpholine derivatives OPRM1, OPRK1, OPRD1 MAPT 169/4885USP2 4807/4885ALDH1A1 1668/4885

“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.