SCHEMBL4630870

SCHEMBL4630870

OCCC1(c2ccc(F)c(F)c2)CNCCO1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.44
SLC6A4 P31645 16/20 0.44
SLC6A3 Q01959 12/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRND Q07001 1/20 0.39
CYP2D6 P10635 1/20 0.34
TACR2 P21452 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
SCHEMBL4795770 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL4797013 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL380233 0.87 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL380232 0.87 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL3978164 0.81 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5111282 0.81 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL14180276 0.81 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3978168 0.81 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL6992262 0.80 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4630553 0.78 TACR2 (0.37) SLC6A2SLC6A4TACR2

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 23 patents — showing the first 20. 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
EP-1923391-A1 Substituted heterocyclic compounds, method for preparing same and pharmaceutical compositions containing them. sanofi-aventis (FR) 2008-05-21 EP 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
EP-1688416-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them Sanofi-Aventis (FR) 2006-08-09 EP 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-1340754-A1 Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-1140923-B1 METHOD FOR PREPARING (R)- (+) -3 1- 2-( 4-BENZOYL- 2-(3,4- DIFLUOROPHENYL)MORPHOLIN- 2-YL)ETHYL]- 4-PHENYLPIPERIDIN -4-YL -1,1- DIMETHYLUREA, ITS SALTS SOLVATES AND/OR HYDRATES SANOFI SYNTHELABO (FR) 2003-03-05 EP disclosed
EP-1156049-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2001-11-21 EP disclosed
US-6242637-B1 USED IN TREATMENT INVOLVING THE TACHYKININ SYSTEM, SUCH AS PAIN, ALLERGY AND INFLAMMATION, CIRCULATORY, GASTROINTESTINAL, NEUROLOGICAL, AND NEUROPSYCHIATRIC DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-05 US disclosed
WO-2001004105-A1 METHOD FOR PREPARING 2-(2-ARYLMORPHOLIN-2-YL)ETHANOL DERIVATIVES AND INTERMEDIATES SANOFI-SYNTHELABO (FR) 2001-01-18 WO disclosed
US-6011154-A Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 2000-01-04 US disclosed
US-5977359-A Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1999-11-02 US disclosed
US-5869663-A INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1999-02-09 US disclosed
US-5780466-A DISORDERS ASSOCIATED WITH EXCESS TACHYKININS AND ALL NEUROKININ-DEPENDENT DISORDERS; ANALGESICS; RESPIRATORY, GASTROINTESTINAL, UROGENTIAL, IMMUNE, CARDIOVASCULAR AND CNS DISORDERS SANOFI (FR) 1998-07-14 US disclosed
EP-0807111-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1997-11-19 EP disclosed
US-5641777-A NEUROKININ RECEPTOR ANTAGONIST SANOFI (FR) 1997-06-24 US disclosed
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 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 SLC6A2 427/4885SLC6A4 524/4885SLC6A3 384/4885
US-20060149058-A1 Preparation of 2-(2-arylmorpholin-2-yl) ethanol derivatives and intermediates ADH1C, ADH1A, ADH5 SLC6A2 427/4885SLC6A4 524/4885SLC6A3 384/4885

“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.