SCHEMBL20680418

SCHEMBL20680418

COC(=O)CC[C@@H](C(=O)O)N(C(=O)OC)C1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
PTPRC P08575 3/20 0.34
PTPN13 Q12923 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.33
AKT1 P31749 1/20 0.33
GPR3 P46089 1/20 0.33

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
SCHEMBL16933112 0.91 CYP1A2 (0.39) CYP1A2TSHRCYP2D6KDM4EALDH1A1
SCHEMBL21175076 0.90 PTPRC (0.35) CYP1A2TSHRPTPRCKMT2A
SCHEMBL20680359 0.89 PTPRC (0.34) CYP1A2TSHRPTPRCPTPN13CYP2D6
SCHEMBL25177898 0.88 CYP1A2 (0.37) CYP1A2TSHRALDH1A1KMT2AGPR3
SCHEMBL8893033 0.88 CYP1A2 (0.37) CYP1A2TSHRKMT2AGPR3
SCHEMBL8892535 0.88 CYP1A2 (0.37) CYP1A2TSHRKMT2AGPR3
SCHEMBL27231102 0.87 PKM (0.39) CYP1A2TSHRKDM4EALDH1A1LMNA
SCHEMBL25182257 0.87 PKM (0.39) CYP1A2TSHRKDM4EALDH1A1LMNA
SCHEMBL14648233 0.86 CYP1A2 (0.36) CYP1A2TSHRKDM4EKMT2AGPR3
SCHEMBL25178735 0.86 CYP1A2 (0.36) CYP1A2TSHRKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325911-B2 Method for preparing 3-[(4S)-8-bromo-1-methyl-6-(pyridin-2-yl)-4H-imidazo[ 1,2-a][1,4]benzodiazepin-4-yl]-propionic acid methyl ester, and compounds useful in said method MOEHS IBERICA, S.L. 2022-05-10 US disclosed
US-11236064-B2 Method for preparing 3-[(3S)-7-bromo-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-[1,4]-benzodiazepin-3-yl] propionic acid methyl ester, and compounds useful in that method MOEHS IBERICA S.L. (ES) 2022-02-01 US disclosed
EP-3658545-B1 METHOD FOR PREPARING 3-[(3S)-7-BROMO-2-OXO-5-(PYRIDIN-2-YL)-2,3-DIHYDRO-1H-[1,4]-BENZODIAZEPIN-3-YL]PROPIONIC ACID METHYL ESTER, AND COMPOUNDS USEFUL IN THAT METHOD MOEHS IBERICA SL (ES) 2021-08-11 EP disclosed
US-20210139452-A1 METHOD FOR PREPARING 3-[(3S)-7-BROMO-2-OXO-5-(PYRIDIN-2-YL)-2,3-DIHYDRO-1H-[1,4]-BENZODIAZEPIN-3-YL] PROPIONIC ACID METHYL ESTER, AND COMPOUNDS USEFUL IN THAT METHOD MOEHS IBERICA S.L. (ES) 2021-05-13 US disclosed
EP-3694859-A1 METHOD FOR PREPARING 3-[(4S)-8-BROMO-1-METHYL-6-(PYRIDIN-2-YL)-4H-IMIDAZO[1,2-A][1,4]BENZODIAZEPIN-4-YL]-PROPIONIC ACID METHYL ESTER, AND COMPOUNDS USEFUL IN SAID METHOD Moehs Ibérica, S.L. (ES) 2020-08-19 EP disclosed
US-20200239477-A1 METHOD FOR PREPARING 3-[(4S)-8-BROMO-1-METHYL-6-(PYRIDIN-2-YL)-4H-IMIDAZO[1,2-A][1,4]BENZODIAZEPIN-4-YL]-PROPIONIC ACID METHYL ESTER, AND COMPOUNDS USEFUL IN SAID METHOD MOEHS IBERICA, S.L. (ES) 2020-07-30 US disclosed
EP-3658545-A1 METHOD FOR PREPARING 3-[(3S)-7-BROMO-2-OXO-5-(PYRIDIN-2-YL)-2,3-DIHYDRO-1H-[1,4]-BENZODIAZEPIN-3-YL]PROPIONIC ACID METHYL ESTER, AND COMPOUNDS USEFUL IN THAT METHOD Moehs Ibérica, S.L. (ES) 2020-06-03 EP disclosed
WO-2019072944-A1 METHOD FOR PREPARING 3-[(4S)-8-BROMO-1-METHYL-6-(PYRIDIN-2-YL)-4H-IMIDAZO[1,2-A][1,4]BENZODIAZEPIN-4-YL]-PROPIONIC ACID METHYL ESTER, AND COMPOUNDS USEFUL IN SAID METHOD MOEHS IBERICA, S.L. (ES) 2019-04-18 WO disclosed
WO-2019020790-A1 METHOD FOR PREPARING 3-[(3S)-7-BROMO-2-OXO-5-(PYRIDIN-2-YL)-2,3-DIHYDRO-1H-[1,4]-BENZODIAZEPIN-3-YL] PROPIONIC ACID METHYL ESTER, AND COMPOUNDS USEFUL IN THAT METHOD MOEHS IBERICA S.L. (ES) 2019-01-31 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-20210139452-A1 METHOD FOR PREPARING 3-[(3S)-7-BROMO-2-OXO-5-(PYRIDIN-2-YL)-2,3-DIHYDRO-1H-[1,4]-BENZODIAZEPIN-3-YL] PROPIONIC ACID METHYL ESTER, AND COMPOUNDS USEFUL IN THAT METHOD GABRA3, GRIK5, GABRA6 SLC1A1 810/4885CYP1A2 572/4885TSHR 2891/4885
US-11236064-B2 Method for preparing 3-[(3S)-7-bromo-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-[1,4]-benzodiazepin-3-yl] propionic acid methyl ester, and compounds useful in that method GABRA3, GRIK5, GABRA6 SLC1A1 810/4885CYP1A2 572/4885TSHR 2891/4885
US-11325911-B2 Method for preparing 3-[(4S)-8-bromo-1-methyl-6-(pyridin-2-yl)-4H-imidazo[ 1,2-a][1,4]benzodiazepin-4-yl]-propionic acid methyl ester, and compounds useful in said method GABRA6, GABRA4, GABRA1 SLC1A1 681/4885CYP1A2 111/4885TSHR 1809/4885
US-20200239477-A1 METHOD FOR PREPARING 3-[(4S)-8-BROMO-1-METHYL-6-(PYRIDIN-2-YL)-4H-IMIDAZO[1,2-A][1,4]BENZODIAZEPIN-4-YL]-PROPIONIC ACID METHYL ESTER, AND COMPOUNDS USEFUL IN SAID METHOD GABRA6, GABRA4, GABRA1 SLC1A1 681/4885CYP1A2 111/4885TSHR 1809/4885

“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.