SCHEMBL6074612

SCHEMBL6074612

O=C1NC(=O)/C(=C/c2ccc(N3CCC4(CC3)OCCO4)c(F)c2)S1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.49
PIM2 Q9P1W9 7/20 0.49
MAPT P10636 2/20 0.48
GSK3B P49841 1/20 0.48
RAB9A P51151 2/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CG P48736 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IGF1R P08069 1/20 0.45
KDM1A O60341 1/20 0.44
PIM3 Q86V86 1/20 0.44
CISD1 Q9NZ45 3/20 0.44
TTR P02766 1/20 0.44
AKR1B1 P15121 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 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
SCHEMBL6074617 1.00 PIM1 (0.49) PIM1PIM2MAPTGSK3BRAB9A
SCHEMBL6074177 0.86 CISD1 (0.54) PIM1PIM2GSK3BRAB9APIK3CA
SCHEMBL6074172 0.86 CISD1 (0.54) PIM1PIM2GSK3BRAB9APIK3CA
SCHEMBL6074372 0.83 PIM1 (0.54) PIM1PIM2MAPTGSK3BRAB9A
SCHEMBL6074371 0.83 PIM1 (0.54) PIM1PIM2MAPTGSK3BRAB9A
SCHEMBL6073906 0.82 MAPT (0.55) PIM1PIM2MAPTGSK3BRAB9A
SCHEMBL6073902 0.82 MAPT (0.55) PIM1PIM2MAPTGSK3BRAB9A
SCHEMBL7247851 0.81 CISD1 (0.48) PIM1PIM2GSK3BKMT2AMEN1
SCHEMBL6074161 0.80 ALDH1A1 (0.64) MAPTRAB9ANPC1SMN1; SMN2KDM1A
SCHEMBL7141451 0.74 ALDH1A1 (0.67) MAPTRAB9AKMT2AMEN1SMN1; 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 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 PIM1 4057/4885PIM2 3864/4885MAPT 565/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PIM1 4057/4885PIM2 3864/4885MAPT 565/4885

“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.