SCHEMBL2435570

SCHEMBL2435570

CC(C)(C)OC(=O)NCC(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HSD11B1 P28845 1/20 0.41
SYK P43405 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1C Q13936 1/20 0.40
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
FAAH O00519 1/20 0.39
POLB P06746 1/20 0.39
BCAT2 O15382 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
SCHEMBL24298740 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNASYK
SCHEMBL18282961 0.86 PPARG (0.44) PPARGPPARALMNACES2CES1
SCHEMBL2434610 0.86 CTSS (0.45) NPC1RAB9ASMN1; SMN2LMNASYK
SCHEMBL16363856 0.86 CTSS (0.45) NPC1RAB9ASMN1; SMN2LMNASYK
SCHEMBL257275 0.84 PNMT (0.51) CES2ADRB1
SCHEMBL1553366 0.84 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2LMNASYK
SCHEMBL17129221 0.84 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2LMNASYK
SCHEMBL2011966 0.84 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2LMNASYK
SCHEMBL26834941 0.83 PCSK9 (0.41) NPC1RAB9ASMN1; SMN2LMNASYK
SCHEMBL3657534 0.83 GAA (0.48) PPARGPPARANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-16 US disclosed
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-30 US disclosed
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-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 (7 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 PPARG 2155/4885PPARA 2969/4885NPC1 1170/4885
US-20100063033-A1 Methods of using substituted morpholine derivatives OPRM1, TPMT, SIGMAR1 PPARG 1276/4885PPARA 2544/4885NPC1 738/4885
US-20090137571-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRD1 PPARG 2140/4885PPARA 2993/4885NPC1 1219/4885
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC PPARG 2/4885PPARA 7/4885NPC1 3137/4885
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC PPARG 2/4885PPARA 7/4885NPC1 3137/4885
US-20110294787-A1 SUBSTITUTED THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRL1 PPARG 2149/4885PPARA 3273/4885NPC1 1082/4885
US-20100063036-A1 Substituted morpholine and thiomorpholine derivatives OPRM1, OPRK1, OPRD1 PPARG 2155/4885PPARA 2969/4885NPC1 1170/4885

“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.