SCHEMBL2354039

SCHEMBL2354039

CCCCP(=O)(O)C(CCN)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.45
GABRR1 P24046 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
ACP3 P15309 2/20 0.42
CYP2D6 P10635 1/20 0.41
HRH1 P35367 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL2354091 0.91 ACP3 (0.44) ACP3CYP2D6HRH1POLB
SCHEMBL2248870 0.87 ACP3 (0.43) ACP3CYP2D6POLB
SCHEMBL2352723 0.84 ACP3 (0.46) ACP3CYP2D6HRH1POLB
SCHEMBL2392797 0.83 ACP3 (0.45) ACP3CYP2D6HRH1POLB
Hydrochloric Acid SCHEMBL2392993 0.83 ACP3 (0.45) ACP3CYP2D6HRH1POLB
SCHEMBL2352255 0.81 CYP2D6 (0.65) ACP3CYP2D6HRH1POLB
SCHEMBL2170906 0.81 TSHR (0.43) ACP3
SCHEMBL2352708 0.79 ACP3 (0.44) ACP3CYP2D6HRH1
SCHEMBL2174320 0.77 ACP3 (0.45) ACP3CYP2D6POLB
SCHEMBL18893740 0.76 CETP (0.44) CYP2D6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9035088-B2 Method for producing mono-aminofunctionalized dialkylphosphinic acids and esters and salts thereof by means of acrylnitriles and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-05-19 US disclosed
CN-102186866-B Method for producing mono amino-functionalised dialkylphosphinite acids esters and salts and use thereof CLARIANT INT LTD 2015-04-29 CN disclosed
EP-2373666-B1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2014-09-24 EP disclosed
US-8604232-B2 Method for producing monoamino-functionalised dialkylphosphinite acids esters and salts and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2013-12-10 US disclosed
EP-2352741-B1 METHOD FOR PRODUCING MONO AMINO-FUNCTIONALISED DIALKYLPHOSPHINITE ACIDS ESTERS AND SALTS AND USE THEREOF CLARIANT INT LTD (CH) 2013-08-28 EP disclosed
EP-2373666-A1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF Clariant Finance (BVI) Limited (VG) 2011-10-12 EP disclosed
CN-102186867-A Method for producing mono-aminofunctionalized dialkylphosphinic acids and esters and salts thereof by means of acrylnitriles and use thereof CLARIANT INT LTD 2011-09-14 CN disclosed
CN-102186866-A Method for producing mono amino-functionalised dialkylphosphinite acids esters and salts and use thereof CLARIANT INT LTD 2011-09-14 CN disclosed
CN-102177165-A Method for producing mono-aminofunctionalized dialkylphosphinic acids and esters and salts thereof and use thereof CLARIANT FINANCE BVI LTD 2011-09-07 CN disclosed
US-20110213078-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110213061-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110213079-A1 Method for Producing Monoamino-Functionalised Dialkylphosphinite Acids Esters and Salts and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
EP-2352741-A1 METHOD FOR PRODUCING MONO AMINO-FUNCTIONALISED DIALKYLPHOSPHINITE ACIDS ESTERS AND SALTS AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 EP disclosed
EP-2352736-A1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 EP disclosed
WO-2010051892-A1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051886-A1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051894-A1 METHOD FOR PRODUCING MONO AMINO-FUNCTIONALISED DIALKYLPHOSPHINITE ACIDS ESTERS AND SALTS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 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 (3 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-20110213078-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof AOC2, AOC3, DAO GABBR2 1586/4885GABRR1 2636/4885GABBR1 1827/4885
US-20110213079-A1 Method for Producing Monoamino-Functionalised Dialkylphosphinite Acids Esters and Salts and Use Thereof DAO, HAO2, AOC1 GABBR2 2363/4885GABRR1 3525/4885GABBR1 2860/4885
US-20110213061-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof HAO2, ACSL1, ACSL3 GABBR2 1979/4885GABRR1 2937/4885GABBR1 2524/4885

“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.