SCHEMBL6074172

SCHEMBL6074172

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 4/20 0.54
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
PIM1 P11309 4/20 0.49
PIM2 Q9P1W9 4/20 0.49
GSK3B P49841 1/20 0.48
IGF1R P08069 2/20 0.47
TTR P02766 1/20 0.47
INSR P06213 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 3/20 0.45
PTPN1 P18031 1/20 0.45
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PIM3 Q86V86 1/20 0.44

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
SCHEMBL6074177 1.00 CISD1 (0.54) CISD1MAOAMAOBPIM1PIM2
SCHEMBL7247851 0.94 CISD1 (0.48) CISD1MAOAMAOBPIM1PIM2
SCHEMBL6074617 0.86 PIM1 (0.49) CISD1MAOAMAOBPIM1PIM2
SCHEMBL6074612 0.86 PIM1 (0.49) CISD1MAOAMAOBPIM1PIM2
SCHEMBL6074056 0.83 CISD1 (0.59) CISD1MAOAMAOBPIM1PIM2
SCHEMBL6074062 0.83 CISD1 (0.59) CISD1MAOAMAOBPIM1PIM2
SCHEMBL6073902 0.82 MAPT (0.55) CISD1MAOAMAOBPIM1PIM2
SCHEMBL6073906 0.82 MAPT (0.55) CISD1MAOAMAOBPIM1PIM2
SCHEMBL6074588 0.80 ALDH1A3 (0.47) KMT2AMEN1HPGD
SCHEMBL7164622 0.74 ALDH1A3 (0.48) KMT2AMEN1

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 CISD1 3821/4885MAOA 1270/4885MAOB 786/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CISD1 3821/4885MAOA 1270/4885MAOB 786/4885

“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.