SCHEMBL6074638

SCHEMBL6074638

O=C(O)CNC(=O)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
HIF1A Q16665 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
SLC22A8 Q8TCC7 1/20 0.51
ATM Q13315 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HDAC6 Q9UBN7 2/20 0.46
TYMS P04818 1/20 0.46
USP5 P45974 5/20 0.45
KMT2A Q03164 1/20 0.44
CASR P41180 1/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL27580963 0.82 MAPK1 (0.62) MAPTCA1CA2HDAC6CHRNA10
SCHEMBL1664948 0.77 KDM4E (0.61) KDM4EMAPTCA1CA2HDAC6
SCHEMBL11107537 0.77 KDM4E (0.80) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL27580958 0.76 MAPK1 (0.44) MAPTCA1CA2CHRNA10CHRNA9
SCHEMBL28749740 0.76 HDAC3 (0.46) KDM4EMAPTHDAC6KMT2ACHRNA10
SCHEMBL27580983 0.76 HDAC3 (0.46) KDM4EMAPTHDAC6KMT2ACHRNA10
SCHEMBL27885501 0.75 ITGB3 (0.45) MAPTHDAC6CHRNA10CHRNA9TAOK1
SCHEMBL6797196 0.74 GAA (0.54) KDM4EKMT2ACASRLMNA
SCHEMBL6074765 0.74 CHRNA10 (0.48) KDM4EMAPTKMT2ACHRNA10CHRNA9
SCHEMBL27580882 0.74 HDAC3 (0.47) CASRCHRNA10CHRNA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 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-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

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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 KDM4E 4266/4885MAPT 565/4885HIF1A 1138/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 KDM4E 4266/4885MAPT 565/4885HIF1A 1138/4885

“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.