SCHEMBL2238005

SCHEMBL2238005

CCCCNCCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.59
HPGD P15428 1/20 0.53
DUSP3 P51452 1/20 0.53
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
HTR2A P28223 1/20 0.51
SCN1A P35498 1/20 0.51
HTR2B P41595 1/20 0.51
KCNH2 Q12809 1/20 0.51
SCN2A Q99250 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
SCN3A Q9NY46 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
LMNA P02545 3/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL540786 0.94 PAOX (0.62) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL20966331 0.93 PAOX (0.65) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL169004 0.93 PAOX (0.65) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL13912969 0.92 PAOX (0.51) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL3200520 0.92 PAOX (0.59) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL721355 0.90 PAOX (0.64) PAOXHPGDDUSP3ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL2488967 0.88 PAOX (0.62) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL22317835 0.87 PAOX (0.58) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL31617029 0.87 ALDH1A1 (0.55) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL76577 0.86 PAOX (0.57) PAOXHPGDDUSP3ALDH1A1MAPK1

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-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2019-02-19 US disclosed
US-9872911-B2 Alpha-aminoamidine polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-01-23 US disclosed
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2017-02-09 US disclosed
US-9415037-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2016-08-16 US disclosed
US-20160137785-A1 POLY(BETA-AMINO ALCOHOLS), THEIR PREPARATION, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-05-19 US disclosed
US-9193827-B2 Poly(beta-amino alcohols), their preparation, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-11-24 US disclosed
US-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2015-06-04 US disclosed
US-20140322309-A1 ALPHA-AMINOAMIDINE POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLO (US) 2014-10-30 US disclosed
US-8853240-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2014-10-07 US disclosed
EP-2361251-B1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-04-30 EP disclosed
US-20130302401-A1 POLY(BETA-AMINO ALCOHOLS), THEIR PREPARATION, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-11-14 US disclosed
EP-2361251-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES Galapagos N.V. (BE) 2011-08-31 EP disclosed
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2011-08-04 US disclosed
WO-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 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 (7 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-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 PAOX 485/4885HPGD 1046/4885DUSP3 2419/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 PAOX 357/4885HPGD 640/4885DUSP3 2599/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 PAOX 485/4885HPGD 1046/4885DUSP3 2419/4885
US-20140322309-A1 ALPHA-AMINOAMIDINE POLYMERS AND USES THEREOF AAAS, AADAT, INMT PAOX 2987/4885HPGD 4559/4885DUSP3 4867/4885
US-20160137785-A1 POLY(BETA-AMINO ALCOHOLS), THEIR PREPARATION, AND USES THEREOF PDGFA, MIF, FIBP PAOX 672/4885HPGD 4526/4885DUSP3 2828/4885
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 PAOX 343/4885HPGD 731/4885DUSP3 2779/4885
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 PAOX 2331/4885HPGD 344/4885DUSP3 2273/4885

“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.