SCHEMBL3091190

SCHEMBL3091190

CN(C)C(=O)NC1(c2ccccc2)CCN(CC[C@@]2(c3ccc(F)c(F)c3)CN(C(=O)c3ccccc3)CCO2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 8/20 1.00
TACR3 P29371 5/20 0.44
TACR1 P25103 5/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3091194 1.00 TACR2 (1.00) TACR2TACR3TACR1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7744616 0.98 TACR2 (0.97) TACR2TACR3TACR1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7744615 0.98 TACR2 (0.97) TACR2TACR3TACR1CYP3A4CYP2D6
Succinic Acid SCHEMBL7716780 0.97 TACR2 (0.94) TACR2TACR3TACR1CYP3A4CYP2D6
Succinic Acid SCHEMBL7716777 0.97 TACR2 (0.94) TACR2TACR3TACR1CYP3A4CYP2D6
Fumaric Acid SCHEMBL7719837 0.96 TACR2 (0.93) TACR2TACR3TACR1CYP3A4CYP2D6
Fumaric Acid SCHEMBL7719845 0.96 TACR2 (0.93) TACR2TACR3TACR1CYP3A4CYP2D6
Fumaric Acid SCHEMBL7751878 0.96 TACR2 (0.93) TACR2TACR3TACR1CYP3A4CYP2D6
Fumaric Acid SCHEMBL7719842 0.96 TACR2 (0.93) TACR2TACR3TACR1CYP3A4CYP2D6
SCHEMBL4631279 0.92 TACR2 (0.85) TACR2TACR3TACR1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090795-A1 Pharmaceutical Compositions Based on Nk2 Antagonists for Pediatric Use LABORATORI GUIDOTTI S.P.A. (IT) 2008-04-17 US claimed
EP-1809267-A1 PHARMACEUTICAL COMPOSITIONS BASED ON NK2 ANTAGONISTS FOR PEDIATRIC USE Laboratori Guidotti S.P.A. (IT) 2007-07-25 EP claimed
WO-2006045820-A1 PHARMACEUTICAL COMPOSITIONS BASED ON NK2 ANTAGONISTS FOR PEDIATRIC USE LABORATORI GUIDOTTI S.P.A. (IT) 2006-05-04 WO claimed
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 claimed
US-6392039-B1 COUPLING; SALT FORMATION SANOFI-SYNTHELABO (FR) 2002-05-21 US claimed
US-20100234284-A1 Pharmaceutical compositions based on NK2 antagonists for pediatric use ALEOTTI ALBERTO 2010-09-16 US disclosed
US-7727955-B2 Pharmaceutical compositions based on NK2 antagonists for pediatric use LABORATORI GUIDOTTI S.P.A. (IT) 2010-06-01 US disclosed
US-7378521-B2 Preparation of 2-(2-arylmorpholin-2-yl) ethanol derivatives and intermediates SANOFI-AVENTIS (FR) 2008-05-27 US disclosed
US-20080090795-A1 Pharmaceutical Compositions Based on Nk2 Antagonists for Pediatric Use LABORATORI GUIDOTTI S.P.A. (IT) 2008-04-17 US disclosed
EP-1809267-A1 PHARMACEUTICAL COMPOSITIONS BASED ON NK2 ANTAGONISTS FOR PEDIATRIC USE Laboratori Guidotti S.P.A. (IT) 2007-07-25 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-1200417-A1 METHOD FOR PREPARING 2-(2-ARYLMORPHOLIN-2-YL)ETHANOL DERIVATIVES AND INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-05-02 EP disclosed
CN-1334813-A Method for preparing (R)-(+)-3-{1-[2-(4-benzoyl-2-(3,4-difluorophenyl) morpholin-2-yl)ethyl]-4-phenylpiperdin-4-yl}-1,1-dimethylurea, its salts solvates and/or hydrates SANOFI SYNTHELABO (FR) 2002-02-06 CN disclosed
CN-1334813-A Method for preparing (R)-(+)-3-{1-[2-(4-benzoyl-2-(3,4-difluorophenyl) morpholin-2-yl)ethyl]-4-phenylpiperdin-4-yl}-1,1-dimethylurea, its salts solvates and/or hydrates SANOFI SYNTHELABO (FR) 2002-02-06 CN disclosed
EP-1140923-A1 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) 2001-10-10 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
WO-2000039126-A1 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) 2000-07-06 WO disclosed
WO-2000039126-A1 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) 2000-07-06 WO disclosed
US-6057379-A IMIDATION BY ADDING MIXTURE OF AROMATIC AND ALIPHATIC DIAMINES TO AROMATIC DICARBOXYLIC ESTER OR ITS ANHYDRIDE TO FORM PRECURSOR, FOAMING, CURING; ADIABATIC MATERIAL, ACOUSTIC ABSORBENT, CUSHIONS IN AEROSPACE, SHIPS,TRAINS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-05-02 US 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 (1 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 TACR2 40/4885TACR3 789/4885TACR1 190/4885

“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.