SCHEMBL4799596

SCHEMBL4799596

O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
HTT P42858 2/20 0.58
MAPK1 P28482 1/20 0.58
FKBP1A P62942 1/20 0.55
POLB P06746 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PABPC1 P11940 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
EP300 Q09472 1/20 0.54
CREBBP Q92793 1/20 0.54

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
SCHEMBL4799610 1.00 ALDH1A1 (0.64) ALDH1A1CYP2C9CYP2C19HTTMAPK1
SCHEMBL4742813 0.95 ALDH1A1 (0.60) ALDH1A1CYP2C9CYP2C19HTTMAPK1
SCHEMBL27627515 0.89 ALDH1A1 (0.79) ALDH1A1CYP2C9CYP2C19HTTMAPK1
SCHEMBL4978089 0.89 ALDH1A1 (0.67) ALDH1A1CYP2C9CYP2C19HTTMAPK1
SCHEMBL2442864 0.87 HTT (0.54) ALDH1A1CYP2C9CYP2C19HTTMAPK1
SCHEMBL31722815 0.87 ALDH1A1 (0.60) ALDH1A1CYP2C9CYP2C19HTTMAPK1
SCHEMBL3106245 0.87 RHOC (0.62) ALDH1A1CYP2C9CYP2C19HTTMAPK1
SCHEMBL3106237 0.87 RHOC (0.62) ALDH1A1CYP2C9CYP2C19HTTMAPK1
SCHEMBL9282043 0.87 KCNH2 (0.56) ALDH1A1CYP2C9CYP2C19HTTMAPK1
SCHEMBL9282048 0.87 KCNH2 (0.56) ALDH1A1CYP2C9CYP2C19HTTMAPK1

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 ALDH1A1 108/4885CYP2C9 528/4885CYP2C19 651/4885
US-20060149058-A1 Preparation of 2-(2-arylmorpholin-2-yl) ethanol derivatives and intermediates ADH1C, ADH1A, ADH5 ALDH1A1 108/4885CYP2C9 528/4885CYP2C19 651/4885

“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.