SCHEMBL7094775

SCHEMBL7094775

CCOC(=O)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.76
MAPK1 P28482 2/20 0.66
LMNA P02545 1/20 0.66
ALDH1A1 P00352 7/20 0.60
MAPT P10636 1/20 0.56
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
HTT P42858 1/20 0.54
TSHR P16473 2/20 0.54
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.51
CCR6 P51684 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
SCHEMBL5023611 0.81 POLB (0.55) POLBMAPK1LMNAALDH1A1TP53
SCHEMBL11772760 0.81 MAPK1 (0.68) POLBMAPK1LMNAALDH1A1CYP3A4
SCHEMBL13745578 0.80 LMNA (0.68) POLBMAPK1LMNAALDH1A1MAPT
SCHEMBL13618589 0.78 POLB (0.51) POLBMAPK1LMNAALDH1A1TP53
SCHEMBL10063079 0.78 POLB (0.52) POLBMAPK1LMNAALDH1A1MAPT
SCHEMBL12436957 0.74 GAA (0.71) POLBLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL13745748 0.74 LMNA (0.59) POLBMAPK1LMNAALDH1A1MAPT
SCHEMBL28118094 0.72 GAA (0.73) POLBLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL11961006 0.72 ALDH1A1 (0.73) POLBLMNAALDH1A1MAPTKMT2A
SCHEMBL16992123 0.72 CHRM4 (0.50) POLBMAPK1LMNAALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
WO-2002006229-A2 HETEROCYCLIC 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 POLB 2061/4885MAPK1 581/4885LMNA 2367/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 POLB 2195/4885MAPK1 377/4885LMNA 1884/4885

“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.