SCHEMBL146746

SCHEMBL146746

NCCCC[C@@H](C(=O)O)N(O)CCC(O)CN

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.42
RNPEP Q9H4A4 1/20 0.41
CPB2 Q96IY4 7/20 0.38
GABRR1 P24046 2/20 0.33
CPB1 P15086 1/20 0.33
FOLH1 Q04609 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 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
SCHEMBL6010254 0.77 GSR (0.42) GSRRNPEPCPB2CPB1FOLH1
SCHEMBL6010252 0.77 GSR (0.42) GSRRNPEPCPB2CPB1FOLH1
SCHEMBL6028111 0.76 GSR (0.47) GSRRNPEPCPB2GABRR1CPB1
SCHEMBL6028109 0.76 GSR (0.47) GSRRNPEPCPB2GABRR1CPB1
SCHEMBL1854666 0.75 GSR (0.54) GSRRNPEPCPB2GABRR1CPB1
SCHEMBL1854667 0.75 GSR (0.54) GSRRNPEPCPB2GABRR1CPB1
SCHEMBL9289262 0.72 NOD1 (0.40) GSRCPB2
SCHEMBL472903 0.72 NOD1 (0.40) GSRCPB2
SCHEMBL2993448 0.72 GSR (0.43) GSRRNPEPCPB2FOLH1LMNA
SCHEMBL2993454 0.72 GSR (0.43) GSRRNPEPCPB2FOLH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741834-B2 Dipeptoid prodrugs and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-03 US disclosed
US-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-12 US disclosed
US-20120058983-A1 Adenosine A1 agonists for the treatment of glaucoma and ocular hypertension BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 US disclosed
US-8101601-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
US-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF Bayer Schering Pharma 2011-12-01 US disclosed
US-20110237629-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-29 US disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 US disclosed
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders BAYER HELTHCARE AG 2011-02-10 US disclosed
US-7883713-B2 Suspension, ointment, solution, spray, lotion, gel, cream, powder, powder spray, paste, emulsion, foam or stick; for treatment of herpes infections in humans AICURIS GMBH & CO. KG (DE) 2011-02-08 US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 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 (8 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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 GSR 1728/4885RNPEP 2516/4885CPB2 2032/4885
US-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS PLG, AADAC, DNPEP GSR 1803/4885RNPEP 96/4885CPB2 85/4885
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS AADAC, AADAT, AASDHPPT GSR 3830/4885RNPEP 108/4885CPB2 211/4885
US-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF DPP4, DPP3, DNPEP GSR 2970/4885RNPEP 820/4885CPB2 563/4885
US-20100273789-A1 AMINOACYL PRODRUGS AADAC, DNPEP, AADAT GSR 2621/4885RNPEP 124/4885CPB2 166/4885
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders PLG, AADAC, DNPEP GSR 1803/4885RNPEP 96/4885CPB2 85/4885
US-20110237629-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF DNPEP, AADAT, DAO GSR 3020/4885RNPEP 202/4885CPB2 496/4885
US-20120058983-A1 Adenosine A1 agonists for the treatment of glaucoma and ocular hypertension ADORA1, ADORA3, ADORA2A GSR 684/4885RNPEP 1413/4885CPB2 2910/4885

“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.