SCHEMBL4725489

SCHEMBL4725489

O=C(O)N1CCOC(CCO)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 13/20 0.45
DRD4 P21917 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
CYP19A1 P11511 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R2 O00459 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PIK3R5 Q8WYR1 1/20 0.31
PIK3R3 Q92569 1/20 0.31

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
SCHEMBL26128380 1.00 PDK1 (0.45) PDK1DRD4L3MBTL1DRD2DRD3
SCHEMBL14835269 0.90 PDK1 (0.42) PDK1DRD4L3MBTL1DRD2DRD3
SCHEMBL14836102 0.90 PDK1 (0.42) PDK1DRD4L3MBTL1DRD2DRD3
SCHEMBL14835270 0.90 PDK1 (0.42) PDK1DRD4L3MBTL1DRD2DRD3
SCHEMBL3029708 0.85 PDK1 (0.61) PDK1L3MBTL1PIK3CDPIK3R2PIK3CA
SCHEMBL571075 0.85 PDK1 (0.61) PDK1L3MBTL1PIK3CDPIK3R2PIK3CA
SCHEMBL2934637 0.85 PDK1 (0.61) PDK1L3MBTL1PIK3CDPIK3R2PIK3CA
SCHEMBL1920418 0.84 PDK1 (0.40) PDK1DRD4DRD2DRD3CYP19A1
SCHEMBL18669235 0.84 PDK1 (0.40) PDK1DRD4DRD2DRD3CYP19A1
SCHEMBL21070197 0.84 PDK1 (0.40) PDK1DRD4DRD2DRD3CYP19A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934272-B2 Pyridyl derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2021-03-02 US disclosed
EP-3440069-B1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-10-28 EP disclosed
US-10583112-B2 Benzo[b]furans as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2020-03-10 US disclosed
EP-3440075-B1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-01-29 EP disclosed
US-20190151279-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-05-23 US disclosed
US-20190119248-A1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-04-25 US disclosed
EP-3440069-A1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property (No. 2) Limited (GB) 2019-02-13 EP disclosed
EP-3440075-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property (No. 2) Limited (GB) 2019-02-13 EP disclosed
WO-2017174620-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-10-12 WO disclosed
WO-2017174621-A1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-10-12 WO disclosed
EP-2683697-B1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN ATLANTIS HOLDINGS SA (CH) 2017-09-06 EP disclosed
US-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN ATLANTIS HOLDINGS SA (CH) 2016-09-01 US disclosed
US-9382216-B2 Substituted morpholines as modulators for the calcium sensing receptor LUPIN LIMITED (IN) 2016-07-05 US disclosed
WO-2015028409-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-03-05 WO disclosed
EP-2683697-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR Lupin Limited (IN) 2014-01-15 EP disclosed
US-20130345213-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN LIMITED (IN) 2013-12-26 US disclosed
WO-2012120476-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN LIMITED (IN) 2012-09-13 WO disclosed
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 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 (6 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-20130345213-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR CASR, RYR1, RYR2 PDK1 4335/4885DRD4 3137/4885L3MBTL1 4554/4885
US-10934272-B2 Pyridyl derivatives as bromodomain inhibitors BRD4, BRD3, BRDT PDK1 226/4885DRD4 4427/4885L3MBTL1 4308/4885
US-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR CASR, RYR1, RYR2 PDK1 4335/4885DRD4 3137/4885L3MBTL1 4554/4885
US-10583112-B2 Benzo[b]furans as bromodomain inhibitors BRD4, BRD3, BRD2 PDK1 939/4885DRD4 4122/4885L3MBTL1 4361/4885
US-20190119248-A1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRDT PDK1 226/4885DRD4 4427/4885L3MBTL1 4308/4885
US-20190151279-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 PDK1 939/4885DRD4 4122/4885L3MBTL1 4361/4885

“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.