SCHEMBL4137922

SCHEMBL4137922

O=C(O)C1CN(C(=O)O)CCO1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 5/20 0.66
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA9 Q16790 1/20 0.30

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
SCHEMBL27669802 1.00 PDK1 (0.66) PDK1HTR2AHTR2CHRH1SMN1; SMN2
SCHEMBL3516619 1.00 PDK1 (0.66) PDK1HTR2AHTR2CHRH1SMN1; SMN2
SCHEMBL29580264 0.88 PDK1 (0.53) PDK1
SCHEMBL18546470 0.88 PDK1 (0.53) PDK1
SCHEMBL27595538 0.84 PDK1 (0.62) PDK1HTR2AHTR2CHRH1
SCHEMBL1119076 0.84 PDK1 (0.62) PDK1HTR2AHTR2CHRH1SMN1; SMN2
SCHEMBL27172500 0.84 PDK1 (0.62) PDK1HTR2AHTR2CHRH1SMN1; SMN2
SCHEMBL26127911 0.84 PDK1 (0.49) PDK1SMN1; SMN2
SCHEMBL14167553 0.84 PDK1 (0.49) PDK1SMN1; SMN2
SCHEMBL15321980 0.81 PDK1 (0.46) PDK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109032-B Quinoline derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-09-05 — — CN disclosed
CN-115109032-A Quinoline derivative and application thereof in medicine 成都百裕制药股份有限公司 2022-09-27 — — CN disclosed
CN-104640847-B Novel Renin Inhibitors 上海医药集团股份有限公司 2019-10-15 — — CN disclosed
CN-109562113-A Spirocyclo-rongeur for target protein degradation C4医药公司 2019-04-02 — — CN disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 — — US disclosed
US-7232833-B2 4-substituted quinoline derivatives, method and intermediates for their preparation and pharmaceutical compositions containing them NOVEXEL (FR) 2007-06-19 — — US disclosed
US-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 — — US disclosed
EP-1620109-A2 KINASE INHIBITOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-02-01 — — EP disclosed
EP-1611127-A2 4-SUBSTITUED QUINOLEIN DERIVATIVES WITH ANTIMICROBIAL ACTIVITY Aventis Pharma S.A. (FR) 2006-01-04 — — EP disclosed
US-20050261253-A1 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. 2005-11-24 — — US disclosed
CN-1662498-A Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2005-08-31 — — CN disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 — — WO disclosed
WO-2004096234-A2 KINASE INHIBITOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
US-20040224946-A1 4-substituted quinoline derivatives, method and intermediates for their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2004-11-11 — — US disclosed
WO-2004087647-A2 4-SUBSTITUTED QUINOLEIN DERIVATIVES WITH ANTIMICROBIAL ACTIVITY AVENTIS PHARMA S.A. (FR) 2004-10-14 — — WO disclosed
EP-1318988-A2 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF (NEUROTRANSMISSION) Sepracor, Inc. (US) 2003-06-18 — — EP disclosed
WO-2002022572-A2 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF (NEUROTRANSMISSION) SEPRACOR, INC. (US) 2002-03-21 — — 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 (5 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-20040224946-A1 4-substituted quinoline derivatives, method and intermediates for their preparation and pharmaceutical compositions containing them HRH2, HRH1, HRH3 PDK1 2699/4885HTR2A 736/4885HTR2C 199/4885
US-20050261253-A1 Kinase inhibitory phosphonate analogs PIK3CA, PNKP, PIK3CB PDK1 387/4885HTR2A 4706/4885HTR2C 4703/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES PDK1 988/4885HTR2A 4056/4885HTR2C 4406/4885
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB PDK1 387/4885HTR2A 4706/4885HTR2C 4703/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES PDK1 988/4885HTR2A 4056/4885HTR2C 4406/4885

“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.

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