SCHEMBL524499

SCHEMBL524499

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 2/20 0.60
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 1/20 0.56
FKBP1A P62942 1/20 0.55
POLB P06746 1/20 0.54
PHGDH O43175 1/20 0.54
KMT2A Q03164 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
HRH3 Q9Y5N1 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.51
HTR7 P34969 1/20 0.50
TSHR P16473 1/20 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
SCHEMBL16597155 0.87 NPC1 (0.66) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL16597154 0.85 NPC1 (0.64) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL16986158 0.81 TSHR (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9557074 0.81 TAAR1 (0.68) NPC1SMN1; SMN2ALDH1A1FKBP1AKMT2A
Hydrochloric Acid SCHEMBL16986155 0.80 TSHR (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL13345791 0.78 NAAA (0.68) NPC1RAB9A
SCHEMBL524458 0.78 KDM4E (0.56) NPC1SMN1; SMN2ALDH1A1FKBP1ATAAR1
SCHEMBL524333 0.78 KDM4E (0.56) NPC1SMN1; SMN2ALDH1A1FKBP1ATAAR1
SCHEMBL523656 0.78 KDM4E (0.56) NPC1SMN1; SMN2ALDH1A1FKBP1ATAAR1
SCHEMBL12123771 0.78 ALDH1A1 (0.73) HTTALDH1A1KMT2AMAPT

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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-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-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-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-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-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-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-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
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
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
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-A3 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) 2011-04-21 WO 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
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
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
WO-2007017705-A1 PROCESS FOR THE PREPARATION OF AZETIDINONES GLENMARK PHARMACEUTICALS LIMITED (US) 2007-02-15 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 NPC1 399/4885RAB9A 3117/4885HTT 1841/4885
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 NPC1 581/4885RAB9A 3657/4885HTT 1954/4885

“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.