SCHEMBL1664589

SCHEMBL1664589

O=Cc1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.58
TRIM33 Q9UPN9 1/20 0.58
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LGMN Q99538 1/20 0.50
MAPT P10636 3/20 0.43
F12 P00748 1/20 0.40
POLB P06746 2/20 0.40
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKDC P78527 1/20 0.39
MITF O75030 1/20 0.39
HPGD P15428 1/20 0.39
PDGFRB P09619 1/20 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
Benzaldehyde SCHEMBL6075591 0.94 TRIM24 (0.51) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
Benzaldehyde SCHEMBL6074528 0.83 KCNH2 (0.41) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30286655 0.81 LGMN (0.46) TRIM24TRIM33ALDH1A1SMN1; SMN2LGMN
SCHEMBL6073786 0.80 LGMN (0.47) ALDH1A1KDM4ESMN1; SMN2LGMNMAPT
SCHEMBL6073781 0.80 LGMN (0.47) ALDH1A1KDM4ESMN1; SMN2LGMNMAPT
SCHEMBL6075003 0.79 ESR1 (0.52) ALDH1A1KDM4ESMN1; SMN2LGMNMAPT
SCHEMBL6074997 0.79 ESR1 (0.52) ALDH1A1KDM4ESMN1; SMN2LGMNMAPT
SCHEMBL211336 0.78 TRIM24 (0.70) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6073902 0.78 MAPT (0.55) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL6073906 0.78 MAPT (0.55) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020045316-A1 MODIFIER FOR POLYMER, PRODUCTION METHOD FOR MODIFIED CONJUGATED-DIENE POLYMER, MODIFIED CONJUGATED-DIENE POLYMER, RUBBER COMPOSITION, TIRE, AND RUBBER BELT 宇部興産株式会社 2020-03-05 WO disclosed
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2003-09-18 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
US-6583140-B2 Useful in treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders WYETH 2003-06-24 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-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2002-11-14 US disclosed
US-6410734-B1 INSULIN RESISTANCE; HYPOGLYCEMIC AGENTS; ANTICHOLESTEROL AGENTS; GASTROINTESTINAL DISORDERS WYETH 2002-06-25 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
WO-2002006281-A1 2-SUBSTITUTED THIAZOLIDINONES AS 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 (7 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 TRIM24 3574/4885TRIM33 4294/4885ALDH1A1 1091/4885
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL TRIM24 396/4885TRIM33 1721/4885ALDH1A1 3228/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF TRIM24 539/4885TRIM33 1419/4885ALDH1A1 2736/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF TRIM24 539/4885TRIM33 1419/4885ALDH1A1 2736/4885
US-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 TRIM24 3772/4885TRIM33 3201/4885ALDH1A1 447/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 TRIM24 3574/4885TRIM33 4294/4885ALDH1A1 1091/4885
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 TRIM24 3772/4885TRIM33 3201/4885ALDH1A1 447/4885

“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.