SCHEMBL613452

SCHEMBL613452

CCCCC#Cc1[c]cccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
CYP3A4 P08684 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
APEX1 P27695 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.32
PTGS2 P35354 1/20 0.32
ADORA3 P0DMS8 3/20 0.32
ADORA2A P29274 3/20 0.32
ADORA1 P30542 2/20 0.32

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
SCHEMBL8114609 0.93 KCNH2 (0.57) KCNH2CYP3A4MAPTKDM4EHSD17B10
SCHEMBL8113698 0.93 KCNH2 (0.57) KCNH2CYP3A4MAPTKDM4EHSD17B10
SCHEMBL8127638 0.93 KCNH2 (0.57) KCNH2CYP3A4MAPTKDM4EHSD17B10
SCHEMBL613219 0.89 KCNH2 (0.39) KCNH2CYP2D6
SCHEMBL483300 0.81 KDM4E (0.34) KCNH2KDM4ELMNA
SCHEMBL2649459 0.75 ALDH1A1 (0.36) KDM4ELMNAPOLBALDH1A1MMP2
SCHEMBL8122307 0.74 KCNH2 (0.36) KCNH2CYP3A4MAPTKDM4EHSD17B10
SCHEMBL2650824 0.73 CYP2A6 (0.41) CYP3A4LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL6295153 0.72 FFAR1 (0.38) KCNH2TSHRFFAR1FFAR4ALDH1A1
SCHEMBL614578 0.71 CYP1A2 (0.50) KCNH2CYP3A4MAPTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2786985-A2 Antagonists of the glucagon receptor Metabasis Therapeutics, Inc. (US) 2014-10-08 EP claimed
EP-2129654-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR Metabasis Therapeutics, Inc. (US) 2009-12-09 EP claimed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 WO claimed
US-10807946-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2020-10-20 US disclosed
US-20190218176-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-07-18 US disclosed
US-10239829-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2019-03-26 US disclosed
EP-2786985-B1 Antagonists of the glucagon receptor METABASIS THERAPEUTICS INC (US) 2018-11-28 EP disclosed
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. 2017-09-28 US disclosed
US-9701626-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2017-07-11 US disclosed
US-20160367639-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL INNOVATIONS LIMITED (GB) 2016-12-22 US disclosed
US-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS INC (US) 2016-01-14 US disclosed
EP-1474163-A2 MODIFICATION OF FEEDING BEHAVIOR Imperial College Innovations Limited (GB) 2004-11-10 EP disclosed
WO-2003026591-A9 MODIFICATION OF FEEDING BEHAVIOR IMP COLLEGE INNOVATIONS LTD (GB) 2004-07-08 WO disclosed
EP-1137631-B1 REVERSIBLE AQUEOUS pH SENSITIVE LIPIDIZING REAGENTS, COMPOSITIONS AND METHODS OF USE UNIV SOUTHERN CALIFORNIA (US) 2004-04-28 EP disclosed
WO-2003057235-A2 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2003-07-17 WO disclosed
US-6590071-B1 Increasing the delivery of hydrophilic amine containing compounds to the cell having a mucosal barrier, in which a compound of given formula penetrates the mucosal barrier of the cell; free amine is liberated by hydrolysis UNIVERSITY OF SOUTHERN CALIFORNIA 2003-07-08 US disclosed
WO-2003027637-A2 ASSESSMENT OF NEURONS IN THE ARCUATE NUCLEUS TO SCREEN FOR AGENTS THAT MODIFY FEEDING BEHAVIOR OREGON HEALTH AND SCIENCE UNIVERSITY (US) 2003-04-03 WO disclosed
WO-2003026591-A2 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2003-04-03 WO disclosed
EP-1137631-A1 REVERSIBLE AQUEOUS pH SENSITIVE LIPIDIZING REAGENTS, COMPOSITIONS AND METHODS OF USE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2001-10-04 EP disclosed
WO-2000034236-A1 REVERSIBLE AQUEOUS pH SENSITIVE LIPIDIZING REAGENTS, COMPOSITIONS AND METHODS OF USE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2000-06-15 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-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 KCNH2 1230/4885CYP3A4 2444/4885MAPT 3346/4885
US-20190218176-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 KCNH2 1231/4885CYP3A4 2495/4885MAPT 3335/4885
US-10239829-B2 Antagonists of the glucagon receptor GLP1R, GCGR, GPR119 KCNH2 1067/4885CYP3A4 2256/4885MAPT 3347/4885
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 KCNH2 1230/4885CYP3A4 2444/4885MAPT 3346/4885
US-10807946-B2 Antagonists of the glucagon receptor GLP1R, GCGR, GPR119 KCNH2 1052/4885CYP3A4 2217/4885MAPT 3376/4885
US-20160367639-A1 MODIFICATION OF FEEDING BEHAVIOR GLP1R, NPY4R, NPY1R KCNH2 4416/4885CYP3A4 4805/4885MAPT 4699/4885

“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.