SCHEMBL6074470

SCHEMBL6074470

O=C1NC(=O)C(=Cc2ccc([N+]3([O-])CCCCC3)cc2)S1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.55
PIM2 Q9P1W9 10/20 0.55
PIM3 Q86V86 1/20 0.55
HPGD P15428 5/20 0.54
AKR1B1 P15121 3/20 0.54
GSK3B P49841 2/20 0.54
MAOA P21397 2/20 0.54
RAB9A P51151 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAOB P27338 1/20 0.54
CISD1 Q9NZ45 2/20 0.53
IGF1R P08069 2/20 0.50
NPC1 O15118 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
SCHEMBL1125013 0.72 PIM1 (0.72) PIM1PIM2PIM3HPGDAKR1B1
SCHEMBL1125015 0.72 PIM1 (0.72) PIM1PIM2PIM3HPGDAKR1B1
SCHEMBL2555241 0.72 PIM1 (0.72) PIM1PIM2PIM3HPGDAKR1B1
SCHEMBL1250387 0.72 PIM1 (1.00) PIM1PIM2PIM3HPGDAKR1B1
SCHEMBL4862893 0.72 PIM1 (0.72) PIM1PIM2PIM3HPGDAKR1B1
SCHEMBL2132747 0.72 PIM1 (1.00) PIM1PIM2PIM3HPGDAKR1B1
SCHEMBL211085 0.72 PIM1 (1.00) PIM1PIM2PIM3HPGDAKR1B1
SCHEMBL4862901 0.72 PIM1 (0.72) PIM1PIM2PIM3HPGDAKR1B1
SCHEMBL2539685 0.71 PIM1 (1.00) PIM1PIM2PIM3HPGDAKR1B1
SCHEMBL2539691 0.71 PIM1 (1.00) PIM1PIM2PIM3HPGDAKR1B1

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 4 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
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

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 3864/4885PIM3 3388/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PIM1 4057/4885PIM2 3864/4885PIM3 3388/4885

“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.