SCHEMBL321352

SCHEMBL321352

CC(=O)c1ccc(OCc2ccccc2)c(C(N)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.59
MAOB P27338 2/20 0.56
MRGPRX4 Q96LA9 1/20 0.53
PARP10 Q53GL7 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
FOLH1 Q04609 1/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL13312278 0.90 MAOB (0.60) MAOBMRGPRX4SMN1; SMN2MAPTCYP2C9
SCHEMBL131229 0.89 FOLH1 (0.63) MAOBMRGPRX4SMN1; SMN2MAPTCYP2C9
SCHEMBL551533 0.86 PARP1 (0.57) PARP1PARP10SMN1; SMN2MAPTCYP2C9
SCHEMBL17747123 0.85 MAOB (0.55) MAOBMRGPRX4SMN1; SMN2MAPTCYP2C9
SCHEMBL131382 0.85 MAOB (0.55) MAOBMRGPRX4SMN1; SMN2MAPTCYP2C9
SCHEMBL3123036 0.84 MAOB (0.64) MAOBMRGPRX4SMN1; SMN2MAPTCYP2C9
SCHEMBL6895376 0.84 PARP1 (0.57) PARP1PARP10SMN1; SMN2L3MBTL1SMPD1
SCHEMBL9236564 0.83 SMPD1 (0.73) MAOBMRGPRX4SMN1; SMN2SMPD1HDAC1
SCHEMBL2009073 0.83 CREBBP (0.66) MAOBMRGPRX4PARP10SMN1; SMN2MAPT
SCHEMBL966146 0.83 MAOB (0.52) MAOBMRGPRX4SMN1; SMN2MAPTCYP2C9

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
EP-2670734-A1 NOVEL ETHER LINKED COMPOUNDS AND IMPROVED TREATMENTS FOR CARDIAC AND CARDIOVASCULAR DISEASE UNIVERSITY OF NOTTINGHAM (GB) 2013-12-11 EP disclosed
US-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES MISTRY SHAILESH (GB) 2013-10-03 US disclosed
EP-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
WO-2012104659-A1 NOVEL ETHER LINKED COMPOUNDS AND IMPROVED TREATMENTS FOR CARDIAC AND CARDIOVASCULAR DISEASE UNIVERSITY OF NOTTINGHAM (GB) 2012-08-09 WO disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 WO disclosed
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
EP-0114758-B1 +/- 2-((3,4-METHYLENEDIOXY)PHENETHYL)-5-((3-CARBOXAMIDO-4-HYDROXY)-ALPHA-HYDROXYBENZYL)PYRROLIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESS FOR THEIR PRODUCTION AND INTERMEDIATES THEREFOR SYNTEX (U.S.A.) INC. (US) 1986-11-12 EP disclosed
EP-0114758-A1 +/- 2-((3,4-Methylenedioxy)phenethyl)-5-((3-carboxamido-4-hydroxy)-alpha-hydroxybenzyl)pyrrolidines, pharmaceutical compositions containing them, process for their production and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1984-08-01 EP disclosed
EP-0009702-A1 A phenylalkylaminoethylsalicylamide, its preparation and pharmaceutical compositions containing it SCHERING CORPORATION (US) 1980-04-16 EP 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 (5 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PARP1 1574/4885MAOB 786/4885MRGPRX4 100/4885
US-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES NR3C2, NPR3, ADRB3 PARP1 3322/4885MAOB 1022/4885MRGPRX4 736/4885
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 PARP1 2993/4885MAOB 518/4885MRGPRX4 81/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PARP1 2897/4885MAOB 646/4885MRGPRX4 115/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PARP1 1574/4885MAOB 786/4885MRGPRX4 100/4885

“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.