SCHEMBL5832015

SCHEMBL5832015

CC(C)(N)CCc1ccc(C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
PARP10 Q53GL7 4/20 0.44
S1PR1 P21453 2/20 0.44
DPP4 P27487 5/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP4 Q9UKK3 1/20 0.41
CYP17A1 P05093 1/20 0.41
MAOB P27338 1/20 0.40
TNNC1 P63316 4/20 0.40
SGPL1 O95470 1/20 0.40
S1PR4 O95977 1/20 0.40
GPR183 P32249 1/20 0.40
CERS2 Q96G23 1/20 0.40
S1PR3 Q99500 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
SCHEMBL7251279 0.91 PARP10 (0.58) PARP10S1PR1CA1CA2PARP1
SCHEMBL11120189 0.85 ALDH1A1 (0.52) EPHX2NR1H4S1PR1
Hydrochloric Acid SCHEMBL11189806 0.84 ALDH1A1 (0.50) EPHX2NR1H4S1PR1
SCHEMBL11125011 0.84 S1PR1 (0.43) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL21058265 0.82 SLC6A2 (0.44) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL10965456 0.81 LOXL2 (0.59) CA1CA2
SCHEMBL11137810 0.81 PLK1 (0.62) EPHX2NR1H4CA1CA2
SCHEMBL11207384 0.81 HDAC1 (0.57)
SCHEMBL11141055 0.81 NR1H4 (0.49) EPHX2NR1H4S1PR1MAOB
SCHEMBL12121048 0.80 EPHX2 (0.43) EPHX2NR1H4PLA2G10PLA2G2APARP10

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0047536-B1 SUBSTITUTED PROPYLAMINES ELI LILLY AND COMPANY (US) 1984-06-27 EP claimed
US-7041684-B2 Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2006-05-09 US disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-6617347-B1 Substituted pyrazoles are treatment of Type II diabetes and obesity. ELI LILLY AND COMPANY 2003-09-09 US disclosed
US-20020165234-A1 Selective B3 adrenergic agonists CROWELL THOMAS A (US) 2002-11-07 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
EP-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 EP disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
US-6046227-A USEFUL IN THE TREATMENT OF TYPE II DIABETES AND OBESITY; A SUBSTITUTED PYRAZINE COMPOUND ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-4849453-A ANIMAL GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1989-07-18 US disclosed
US-4734437-A PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
EP-0241618-A2 Phenyl ethanol amine derivative for use as an oncolytic medicament ELI LILLY AND COMPANY (US) 1987-10-21 EP disclosed
US-4690951-A B-PHENETHANGLAMINES; FEED EFFICIENCY AND LEANESS ELI LILLY AND COMPANY (US) 1987-09-01 US disclosed
EP-0117647-A1 Improvements in or relating to phenethanolamines ELI LILLY AND COMPANY (US) 1984-09-05 EP disclosed
EP-0047536-B1 SUBSTITUTED PROPYLAMINES ELI LILLY AND COMPANY (US) 1984-06-27 EP disclosed
EP-0007206-B1 PHENETHANOLAMINES, THEIR FORMULATIONS, PREPARATION AND USE ELI LILLY AND COMPANY (US) 1983-02-23 EP disclosed
EP-0047536-A2 Substituted propylamines ELI LILLY AND COMPANY (US) 1982-03-17 EP disclosed
EP-0047536-A2 Substituted propylamines ELI LILLY AND COMPANY (US) 1982-03-17 EP disclosed
EP-0007206-A1 Phenethanolamines, their formulations, preparation and use ELI LILLY AND COMPANY (US) 1980-01-23 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 (2 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-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 EPHX2 1061/4885NR1H4 90/4885PLA2G10 3450/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 EPHX2 799/4885NR1H4 46/4885PLA2G10 2475/4885

“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.