SCHEMBL389007

SCHEMBL389007

CN(CCCCC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
CCR6 P51684 1/20 0.49
PAX8 Q06710 1/20 0.49
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
KDM4A O75164 2/20 0.45
KDM4C Q9H3R0 2/20 0.45
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
MAPK1 P28482 2/20 0.45
SLC6A3 Q01959 2/20 0.45
HDAC3 O15379 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL392019 0.99 HTT (0.50) HTTCCR6PAX8ALOX5ALDH1A1
SCHEMBL28002371 0.99 HTT (0.50) HTTCCR6PAX8ALOX5ALDH1A1
SCHEMBL393422 0.95 HTT (0.52) HTTCCR6PAX8ALOX5ALDH1A1
SCHEMBL21235957 0.90 CCR6 (0.48) CCR6PAX8ALDH1A1MAPTBCHE
SCHEMBL164180 0.89 ALDH1A1 (0.51) HTTCCR6PAX8ALDH1A1MAPT
SCHEMBL392184 0.89 ALDH1A1 (0.49) HTTCCR6PAX8ALDH1A1MAPT
SCHEMBL9684805 0.87 ALDH1A1 (0.47) CCR6PAX8ALDH1A1MAPTBCHE
SCHEMBL21235941 0.87 ABCB1 (0.50) CCR6PAX8ALDH1A1MAPTBCHE
SCHEMBL392903 0.87 ALDH1A1 (0.47) CCR6PAX8ALDH1A1MAPTBCHE
SCHEMBL19346032 0.87 CCR6 (0.53) CCR6PAX8ALDH1A1MAPTBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311880-B Novel tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infections 豪夫迈·罗氏有限公司 2021-09-03 CN disclosed
EP-3478680-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION HOFFMANN LA ROCHE (CH) 2020-04-22 EP disclosed
US-20190241559-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION HOFFMANN-LA ROCHE INC. (US) 2019-08-08 US disclosed
CN-109311880-A For treating and preventing hepatitis b virus infected new tetrahydropyridine miazines compound 豪夫迈·罗氏有限公司 2019-02-05 CN disclosed
US-8334284-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-18 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-8101601-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 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
EP-2167500-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayer Schering Pharma AG (DE) 2010-03-31 EP disclosed
EP-1987026-B1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER HEALTHCARE AG (DE) 2009-08-26 EP disclosed
WO-2009007028-A1 PRODRUG DERIVATIVES OF 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2009007027-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
EP-1987026-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS Bayer HealthCare AG (DE) 2008-11-05 EP disclosed
WO-2007093328-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER HEALTHCARE AG (DE) 2007-08-23 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 (4 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-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS PLG, AADAC, DNPEP HTT 3486/4885CCR6 4038/4885PAX8 4517/4885
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS AADAC, AADAT, AASDHPPT HTT 3937/4885CCR6 4647/4885PAX8 4630/4885
US-20190241559-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION TYMP, RECQL, DPYD HTT 3348/4885CCR6 937/4885PAX8 3520/4885
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders PLG, AADAC, DNPEP HTT 3486/4885CCR6 4038/4885PAX8 4517/4885

“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.