SCHEMBL4397929

SCHEMBL4397929

O=C(CCOCCOCCN1C(=O)C=CC1=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MGLL Q99685 1/20 0.39
OPRK1 P41145 2/20 0.39
EPHX2 P34913 2/20 0.37
MAPT P10636 4/20 0.36
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CACNA1G O43497 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MCHR1 Q99705 2/20 0.35
CHRM1 P11229 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A3 Q01959 2/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX12 P18054 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL4400652 0.91 OPRK1 (0.46) POLBOPRK1EPHX2MAPTNPC1
SCHEMBL4401002 0.91 OPRK1 (0.46) POLBOPRK1EPHX2MAPTNPC1
SCHEMBL13880959 0.89 POLB (0.46) POLBMAPTNPC1SMN1; SMN2HSD17B10
SCHEMBL13643855 0.88 OPRK1 (0.41) POLBOPRK1EPHX2MAPTNPC1
SCHEMBL4400114 0.87 POLB (0.39) POLBOPRK1EPHX2MAPTNPC1
SCHEMBL14968453 0.86 POLB (0.46) POLBOPRK1EPHX2MAPTNPC1
SCHEMBL4400107 0.86 POLB (0.43) POLBOPRK1EPHX2MAPTNPC1
SCHEMBL13643867 0.85 OPRK1 (0.44) POLBOPRK1EPHX2MAPTALDH1A1
SCHEMBL13643854 0.85 POLB (0.39) POLBOPRK1EPHX2MAPTNPC1
SCHEMBL13880962 0.85 ALDH1A1 (0.44) POLBMAPTSMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793928-B1 PROCESS FOR PURIFYING A SAMPLE OF H38C2 ANTIBODY PFIZER (US) 2017-03-15 EP disclosed
US-9163227-B2 Anti-diabetic compounds COVX TECHNOLOGIES IRELAND LIMITED (IE) 2015-10-20 US disclosed
US-9163227-B2 Anti-diabetic compounds COVX TECHNOLOGIES IRELAND LIMITED (IE) 2015-10-20 US disclosed
US-8722622-B2 FGF21 conjugates and anti-diabetic uses thereof COVX TECHNOLOGIES IRELAND, LIMITED (IE) 2014-05-13 US disclosed
US-8722622-B2 FGF21 conjugates and anti-diabetic uses thereof COVX TECHNOLOGIES IRELAND, LIMITED (IE) 2014-05-13 US disclosed
WO-2013093720-A2 ANTI-DIABETIC COMPOUNDS PFIZER INC. (US) 2013-06-27 WO disclosed
US-20130164310-A1 ANTI-DIABETIC COMPOUNDS COVX TECHNOLOGIES IRELAND LIMITED 2013-06-27 US disclosed
US-20130164310-A1 ANTI-DIABETIC COMPOUNDS COVX TECHNOLOGIES IRELAND LIMITED 2013-06-27 US disclosed
US-20120282279-A1 Anti-Diabetic Compounds COVX TECHNOLOGIES IRELAND LIMITED (IE) 2012-11-08 US disclosed
US-20120282279-A1 Anti-Diabetic Compounds COVX TECHNOLOGIES IRELAND LIMITED (IE) 2012-11-08 US disclosed
WO-2012059873-A2 ANTI-DIABETIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LTD. (IE) 2012-05-10 WO disclosed
US-20090098130-A1 GLUCAGON-LIKE PROTEIN-1 RECEPTOR (GLP-1R) AGONIST COMPOUNDS COVX TECHNOLOGIES IRELAND LIMITED (IE) 2009-04-16 US disclosed
US-20090098130-A1 GLUCAGON-LIKE PROTEIN-1 RECEPTOR (GLP-1R) AGONIST COMPOUNDS COVX TECHNOLOGIES IRELAND LIMITED (IE) 2009-04-16 US disclosed
WO-2008081418-A1 GLUCAGON-LIKE PROTEIN-1 RECEPTOR (GLP-1R) AGONIST COMPOUNDS COVX TECHNOLOGIES IRELAND LIMITED (IE) 2008-07-10 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 (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-20120282279-A1 Anti-Diabetic Compounds GLP1R, FGF2, FGFR1 POLB 4521/4885MGLL 1667/4885OPRK1 4623/4885
US-20090098130-A1 GLUCAGON-LIKE PROTEIN-1 RECEPTOR (GLP-1R) AGONIST COMPOUNDS GLP1R, GIPR, GCGR POLB 4831/4885MGLL 745/4885OPRK1 1995/4885

“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.