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Sugi Predict / Compounds / SCHEMBL523841

SCHEMBL523841

SCHEMBL523841

CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.54
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ SYK P43405 1/20 0.46
▸ CTSL P07711 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ PDK1 Q15118 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ PDK3 Q15120 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ GRIN2B Q13224 1/20 0.42

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
SCHEMBL523500 1.00 PDE4B (0.54) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL12527110 1.00 PDE4B (0.54) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL523499 1.00 PDE4B (0.54) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL3547026 1.00 PDE4B (0.54) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL9186129 0.92 SMN1; SMN2 (0.51) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL9186123 0.92 SMN1; SMN2 (0.51) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL5744757 0.91 PDE4B (0.52) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL5744759 0.91 PDE4B (0.52) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL5744756 0.91 PDE4B (0.52) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL21551304 0.91 ALDH1A1 (0.46) PDE4BKMT2ASMN1; SMN2SYKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 — — US disclosed
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 — — US disclosed
EP-2822941-B1 BENZODIOXANES IN COMBINATION WITH STATINS FOR INHIBITING LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-10 — — EP disclosed
EP-2822942-B1 BENZODIOXANES FOR INHIBITING LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-10 — — EP disclosed
EP-2417128-B1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES AS ADP RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-02 — — EP disclosed
US-8946203-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 — — US disclosed
US-8946203-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 — — US disclosed
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 — — US disclosed
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 — — US disclosed
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 — — US disclosed
WO-2013131901-A1 BENZODIOXANES IN COMBINATION WITH OTHER ACTIVES FOR INHIBITING LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 — — WO disclosed
US-8288385-B2 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 — — US disclosed
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2012-02-02 — — US disclosed
EP-0413455-B1 Azabicyclo quinolone carboxylic acids PFIZER (US) 1995-06-21 — — EP disclosed
US-5391763-A 3-aza-bicyclo[3.1.0]hexanes which are intermediates for anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1995-02-21 — — US disclosed
US-5266569-A Azatricyclo carboxylic acids useful as anti-bacterial agents PFIZER INC. (US) 1993-11-30 — — US disclosed
US-5229396-A Anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1993-07-20 — — US disclosed
US-5164402-A Bactericides PFIZER INC (US) 1992-11-17 — — US disclosed
WO-1991002526-A1 AZABICYCLO QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1991-03-07 — — WO disclosed
EP-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 — — EP 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 (3 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-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES P2RY12, P2RY13, P2RY6 PDE4B 594/4885KMT2A 3240/4885L3MBTL1 3111/4885
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTC4S PDE4B 1569/4885KMT2A 2332/4885L3MBTL1 840/4885
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY LTB4R, LTB4R2, LTC4S PDE4B 1779/4885KMT2A 2505/4885L3MBTL1 1537/4885

“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.