SCHEMBL4800951

SCHEMBL4800951

C=CC1(c2ccc(F)c(F)c2)CO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.41
SLC6A2 P23975 5/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRND Q07001 1/20 0.41
SLC6A4 P31645 5/20 0.38
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CCR2 P41597 1/20 0.31

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
SCHEMBL14180287 0.74 CYP2C19 (0.33) CCR2
SCHEMBL7177396 0.72 TACR2 (0.36) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL1446220 0.71 SLC6A3 (0.51) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL7772327 0.70 LMNA (0.37) SLC6A3SLC6A2CHRNB2CHRNB4CHRNA3
SCHEMBL24111955 0.69 CYP2A6 (0.33)
SCHEMBL28048051 0.69 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4
SCHEMBL3066773 0.66 HDAC4 (0.37)
SCHEMBL9225480 0.65 SLC6A3 (0.46) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL9230201 0.65 SLC6A3 (0.40) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL23231379 0.65 SLC6A3 (0.46) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378521-B2 Preparation of 2-(2-arylmorpholin-2-yl) ethanol derivatives and intermediates SANOFI-AVENTIS (FR) 2008-05-27 US disclosed
US-20070167623-A1 PREPARATION OF 2-(2-ARYLMORPHOLIN-2-YL) ETHANOL DERIVATIVES AND INTERMEDIATES SANOFI-AVENTIS (FR) 2007-07-19 US disclosed
US-7223860-B2 Preparation of 2-(2-arylmorpholin-2-yl) ethanol derivatives and intermediates SANOFI-AVENTIS (FR) 2007-05-29 US disclosed
US-20060149058-A1 Preparation of 2-(2-arylmorpholin-2-yl) ethanol derivatives and intermediates SANOFI-AVENTIS (FR) 2006-07-06 US disclosed
US-7038044-B1 Method for preparing 2-(2-arylmorpholin-2-yl)ethanol derivatives and intermediates SANOFI-AVENTIS (FR) 2006-05-02 US disclosed
EP-1200417-B1 METHOD FOR PREPARING 2-(2-ARYLMORPHOLIN-2-YL)ETHANOL DERIVATIVES AND INTERMEDIATES SANOFI SYNTHELABO (FR) 2003-10-22 EP disclosed
EP-1200417-A1 METHOD FOR PREPARING 2-(2-ARYLMORPHOLIN-2-YL)ETHANOL DERIVATIVES AND INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-05-02 EP disclosed
WO-2001004105-A1 METHOD FOR PREPARING 2-(2-ARYLMORPHOLIN-2-YL)ETHANOL DERIVATIVES AND INTERMEDIATES SANOFI-SYNTHELABO (FR) 2001-01-18 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-20070167623-A1 PREPARATION OF 2-(2-ARYLMORPHOLIN-2-YL) ETHANOL DERIVATIVES AND INTERMEDIATES ADH1C, ADH1A, ADH5 SLC6A3 384/4885SLC6A2 427/4885CHRNA1 255/4885
US-20060149058-A1 Preparation of 2-(2-arylmorpholin-2-yl) ethanol derivatives and intermediates ADH1C, ADH1A, ADH5 SLC6A3 384/4885SLC6A2 427/4885CHRNA1 255/4885

“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.