SCHEMBL20680359

SCHEMBL20680359

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 5/20 0.34
PTPN13 Q12923 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A3 O75751 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR3 P46089 1/20 0.33
POLB P06746 1/20 0.32
ALOX5 P09917 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
SCHEMBL20680418 0.89 SLC1A1 (0.35) PTPRCPTPN13CYP2D6CYP1A2TSHR
SCHEMBL16933112 0.81 CYP1A2 (0.39) CYP2D6CYP1A2TSHRALDH1A1KMT2A
SCHEMBL21175076 0.80 PTPRC (0.35) PTPRCCYP1A2TSHRKMT2A
SCHEMBL8009536 0.79 KCNA5 (0.36) CYP2D6CYP1A2TSHRCYP2C19SLC22A2
SCHEMBL28573055 0.78 GPR3 (0.39) CYP2D6CYP1A2TSHRCYP2C19SLC22A2
SCHEMBL25182257 0.77 PKM (0.39) CYP1A2TSHRCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9822503 0.77 CYP1A2 (0.31) CYP2D6CYP1A2TSHRCYP2C19
SCHEMBL27231102 0.77 PKM (0.39) CYP1A2TSHRCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL1784561 0.77 CYP1A2 (0.35) CYP1A2TSHRCYP2C19SLC22A2SLC22A3
SCHEMBL25177898 0.77 CYP1A2 (0.37) CYP1A2TSHRALDH1A1KMT2AGPR3

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 PTPRC 2608/4885PTPN13 3122/4885CYP2D6 172/4885
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 PTPRC 2608/4885PTPN13 3122/4885CYP2D6 172/4885
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 PTPRC 3046/4885PTPN13 4243/4885CYP2D6 82/4885
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 PTPRC 3046/4885PTPN13 4243/4885CYP2D6 82/4885

“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.