SCHEMBL6073828

SCHEMBL6073828

ONCc1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK8 P45983 3/20 0.38
MAPK10 P53779 3/20 0.38

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
SCHEMBL6074426 0.83 LGMN (0.50) LGMNL3MBTL1L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL6680323 0.80 LGMN (0.54) LGMNL3MBTL1L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL23387256 0.78 ITGB3 (0.56) LGMNL3MBTL1L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL5539112 0.77 LGMN (0.54) LGMNL3MBTL1L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL4938700 0.76 HRH3 (0.56) LGMNL3MBTL1L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL20347010 0.74 LGMN (0.48) LGMNL3MBTL1L3MBTL3KDM4EMAPK8
SCHEMBL25188289 0.74 RAB9A (0.58) L3MBTL1ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL974758 0.74 LGMN (0.54) LGMNL3MBTL1L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL5546662 0.74 POLB (0.55) LGMNALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL14117662 0.74 LGMN (0.54) LGMNL3MBTL1ALDH1A1SMN1; SMN2MAPT

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 LGMN 4736/4885L3MBTL1 3557/4885L3MBTL3 3449/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LGMN 4736/4885L3MBTL1 3557/4885L3MBTL3 3449/4885

“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.