SCHEMBL522211

SCHEMBL522211

O=C(CCCC(OCc1ccccc1)c1ccc(F)cc1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.50
CACNA1F O60840 2/20 0.50
DRD4 P21917 2/20 0.50
DRD5 P21918 2/20 0.50
HRH2 P25021 2/20 0.50
ADRA1D P25100 2/20 0.50
HTR2A P28223 2/20 0.50
HTR7 P34969 2/20 0.50
ADRA1A P35348 2/20 0.50
HRH1 P35367 2/20 0.50
ADRA1B P35368 2/20 0.50
OPRM1 P35372 2/20 0.50
DRD3 P35462 2/20 0.50
OPRD1 P41143 2/20 0.50
OPRK1 P41145 2/20 0.50
HTR6 P50406 2/20 0.50
CACNA1D Q01668 2/20 0.50
SLC6A3 Q01959 2/20 0.50
CACNA1S Q13698 2/20 0.50
CACNA1C Q13936 2/20 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
SCHEMBL14610747 1.00 FKBP1A (0.50) FKBP1ACACNA1FDRD4DRD5HRH2
SCHEMBL10024995 0.82 FKBP1A (0.50) FKBP1ACACNA1FDRD4DRD5HRH2
SCHEMBL14610742 0.81 HTT (0.42) CACNA1FDRD4DRD5HRH2ADRA1D
SCHEMBL523236 0.81 HTT (0.42) CACNA1FDRD4DRD5HRH2ADRA1D
SCHEMBL523656 0.78 KDM4E (0.56) FKBP1ACACNA1FDRD4DRD5HRH2
SCHEMBL524458 0.78 KDM4E (0.56) FKBP1ACACNA1FDRD4DRD5HRH2
SCHEMBL524333 0.78 KDM4E (0.56) FKBP1ACACNA1FDRD4DRD5HRH2
SCHEMBL5434964 0.76 NAAA (0.42) CACNA1FDRD4DRD5HRH2ADRA1D
SCHEMBL21218202 0.75 FKBP1A (0.55) FKBP1AMEN1KMT2ANPSR1GRM5
SCHEMBL524775 0.75 SLC6A3 (0.38) CACNA1FDRD4DRD5HRH2ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994520-B2 Enzymatic process for the preparation of (S)-5-(4-fluoro-phenyl)-5-hydroxy-1morpholin-4-yl-pentan-1-one, an intermediate of ezetimibe and further conversion to ezetimibe MYLAN LABORATORIES LIMITED (IN) 2018-06-12 US disclosed
US-20160280642-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE MYLAN LABORATORIES LIMITED (IN) 2016-09-29 US disclosed
US-9388440-B2 Enzymatic process for the preparation of (S)-5-(4-fluoro-phenyl)-5-hydroxy-1morpholin-4-yl-pentan-1-one, an intermediate of Ezetimibe and further conversion to Ezetimibe MYLAN LABORATORIES LIMITED (IN) 2016-07-12 US disclosed
EP-2414529-A2 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE Matrix Laboratories Ltd (IN) 2012-02-08 EP disclosed
US-20120028316-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE MATRIX PHARMACORP PRIVATE LIMITED (IN) 2012-02-02 US disclosed
WO-2010113175-A2 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE MATRIX LABORATORIES LTD (IN) 2010-10-07 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 (2 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-20120028316-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE CES1, CMA1, CYP51A1 FKBP1A 1927/4885CACNA1F 2291/4885DRD4 1248/4885
US-20160280642-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE TPSD1, PCSK9, PEPD FKBP1A 2289/4885CACNA1F 2397/4885DRD4 645/4885

“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.