Sugi Predict

Sugi Predict / Compounds / SCHEMBL6074333

SCHEMBL6074333

SCHEMBL6074333

NC(=O)N(O)Cc1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGMN Q99538 1/20 0.44
▸ F12 P00748 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ITGB3 P05106 2/20 0.39
▸ ITGA2B P08514 2/20 0.39
▸ L3MBTL3 Q96JM7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK8 P45983 3/20 0.36

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
SCHEMBL9164692 0.84 GSK3B (0.48) ALOX5ALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL9162582 0.81 ALOX5 (0.45) ALOX5ALDH1A1MEN1KMT2AITGB3
SCHEMBL6074393 0.78 ALOX5 (0.43) ALOX5ITGB3ITGA2BL3MBTL3L3MBTL1
SCHEMBL23387256 0.77 ITGB3 (0.56) LGMNF12ALDH1A1MEN1KMT2A
SCHEMBL6074426 0.76 LGMN (0.50) LGMNF12ALDH1A1MEN1KMT2A
SCHEMBL6680323 0.76 LGMN (0.54) LGMNF12ALDH1A1MEN1KMT2A
SCHEMBL6134959 0.73 POLB (0.50) LGMNF12ALDH1A1L3MBTL1NPC1
SCHEMBL6073828 0.72 LGMN (0.47) LGMNF12ALDH1A1MEN1KMT2A
SCHEMBL6074502 0.72 MAPT (0.54) LGMNF12ALDH1A1MEN1KMT2A
SCHEMBL1663834 0.72 KDM4E (0.53) LGMNF12ALDH1A1MEN1KMT2A

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 LGMN 4736/4885F12 1569/4885ALOX5 3105/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LGMN 4736/4885F12 1569/4885ALOX5 3105/4885

“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.