SCHEMBL4570513

SCHEMBL4570513

CC(=O)CCCc1nnn[nH]1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL12118230 0.93 PAOX (0.38) PAOXACHEALDH1A1MAPT
SCHEMBL12287350 0.93 PAOX (0.38) PAOXACHEALDH1A1MAPT
SCHEMBL12287701 0.93 PAOX (0.38) PAOXACHEALDH1A1MAPT
SCHEMBL1650867 0.83 TBXAS1 (0.41) ALDH1A1MAPT
SCHEMBL12118190 0.82 CXCR2 (0.31)
SCHEMBL13880497 0.81 CASP2 (0.36) PAOX
SCHEMBL10435516 0.78 TBXAS1 (0.47) ALDH1A1MAPT
SCHEMBL13880437 0.77 KDM4E (0.44) PAOX
SCHEMBL1639942 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL12641022 0.77 PPARG (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9480753-B2 FGF21 derivatives with albumin binder A-B-C-D-E- and their use NOVO NORDISK A/S (DK) 2016-11-01 US disclosed
US-9464048-B2 5-oxo-ETE receptor antagonist compounds FLORIDA INSTITUTE OF TECHNOLOGY (US) 2016-10-11 US disclosed
US-9464048-B2 5-oxo-ETE receptor antagonist compounds FLORIDA INSTITUTE OF TECHNOLOGY (US) 2016-10-11 US disclosed
US-20160289283-A1 SELECTIVE PYY COMPOUNDS AND USES THEREOF NOVO NORDISK (DK) 2016-10-06 US disclosed
WO-2016066818-A1 COMPOSITIONS AND PEPTIDES HAVING DUAL GLP-1R AND GLP-2R AGONIST ACTIVITY GUBRA APS (DK) 2016-05-06 WO disclosed
US-9085637-B2 Selective PYY compounds and uses thereof NOVO NORDISK A/S (DK) 2015-07-21 US disclosed
US-20150152150-A1 Selective PYY compounds and uses thereof NOVO NORDISK A/S (DK) 2015-06-04 US disclosed
EP-2842965-A1 Neuromedin U analogs comprising serum albumin binding amino acid residue Gubra ApS (DK) 2015-03-04 EP disclosed
US-20140323535-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-10-30 US disclosed
US-20140323535-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-10-30 US disclosed
US-8809382-B2 5-oxo-ETE receptor antagonist compounds THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-08-19 US disclosed
US-8809382-B2 5-oxo-ETE receptor antagonist compounds THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-08-19 US disclosed
US-20120122942-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS FLORIDA INSTITUTE OF TECHNOLOGY 2012-05-17 US disclosed
US-20120122942-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS FLORIDA INSTITUTE OF TECHNOLOGY 2012-05-17 US disclosed
WO-2010127452-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2010-11-11 WO disclosed
US-20100216715-A1 FGF21 Derivatives With Albumin Binder A-B-C-D-E- And Their Use NOVO NORDISK A/S (DK) 2010-08-26 US 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-20160289283-A1 SELECTIVE PYY COMPOUNDS AND USES THEREOF NPY1R, NPY5R, NPY2R PAOX 686/4885ACHE 4134/4885ALDH1A1 4809/4885
US-20120122942-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS OXER1, PTGIR, EDNRA PAOX 800/4885ACHE 2332/4885ALDH1A1 1506/4885
US-20100216715-A1 FGF21 Derivatives With Albumin Binder A-B-C-D-E- And Their Use FABP1, FABP4, FGFR1 PAOX 756/4885ACHE 4730/4885ALDH1A1 207/4885
US-20150152150-A1 Selective PYY compounds and uses thereof NPY1R, NPY5R, NPY2R PAOX 686/4885ACHE 4134/4885ALDH1A1 4809/4885
US-20140323535-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS OXER1, PTGIR, EDNRA PAOX 800/4885ACHE 2332/4885ALDH1A1 1506/4885

“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.