SCHEMBL1048762

SCHEMBL1048762

CN(C)c1cccc(-c2ccccc2)c1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.36
HTR7 P34969 4/20 0.36
HTR1A P08908 3/20 0.36
ROCK2 O75116 1/20 0.35
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
NSD2 O96028 1/20 0.33
EGFR P00533 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
PTGS2 P35354 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL30354041 1.00 HTR6 (0.36) HTR6HTR7HTR1AROCK2MAPT
SCHEMBL21331779 0.84 HTR6 (0.39) HTR6ROCK2MAPTALDH1A1MEN1
SCHEMBL2296753 0.81 NPSR1 (0.33) HTR6HTR7HTR1AROCK2MAPT
SCHEMBL1790973 0.79 ALDH1A1 (0.37) HTR7HTR1AROCK2NPSR1ALDH1A1
SCHEMBL3129527 0.79 HTR6 (0.36) HTR6MAPTALDH1A1MEN1KMT2A
SCHEMBL4730882 0.79 ROCK2 (0.51) HTR6HTR7HTR1AROCK2MAPT
SCHEMBL31087066 0.78 TSHR (0.35) HTR6HTR7HTR1AMAPTALDH1A1
SCHEMBL29778140 0.78 CYP2A6 (0.48) ROCK2NPSR1ALDH1A1MEN1KMT2A
SCHEMBL2628567 0.77 ROCK2 (0.38) HTR6ROCK2MAPTNPSR1ALDH1A1
SCHEMBL31581246 0.77 MAPT (0.38) HTR7HTR1AROCK2MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737301-B2 Preparation of 2-bicyclopropyl-2-yl-phenylamine through catalyzing the dehydrochlorination in the presence of a palladium complex; cost efficiency; used as intermediates for the preparation of fungicides SYNGENTA CROP PROTECTION, INC. (US) 2010-06-15 US claimed
US-20090221855-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US claimed
EP-1931618-B1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 EP claimed
EP-1931618-A1 PROCESS FOR THE PRODUCTION OF ANILINES Syngeta Participations AG (CH) 2008-06-18 EP claimed
WO-2007025693-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2007-03-08 WO claimed
US-8785007-B2 Pendant-type polymeric compound, color conversion film using pendant-type polymeric compound, and multicolor emission organic EL device ADEKA CORPORATION (JP) 2014-07-22 US disclosed
EP-2560960-B1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-26 EP disclosed
US-8524915-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-09-03 US disclosed
US-8519151-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-08-27 US disclosed
US-8519152-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-08-27 US disclosed
EP-2316813-B1 Process for the preparation of amines SYNGENTA PARTICIPATIONS AG (CH) 2013-04-03 EP disclosed
EP-2269993-B1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2013-02-27 EP disclosed
US-20090221855-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US disclosed
EP-1931618-B1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 EP disclosed
US-20080318776-A1 2,6-Diethyl-4-Methylphenyl-Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-12-25 US disclosed
EP-1581467-A4 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INST TECHNOLOGY (US) 2008-08-13 EP disclosed
EP-1931618-A1 PROCESS FOR THE PRODUCTION OF ANILINES Syngeta Participations AG (CH) 2008-06-18 EP disclosed
WO-2007025693-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2007-03-08 WO disclosed
EP-1581467-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-10-05 EP disclosed
WO-2004052939-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-06-24 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-20090221855-A1 PROCESS FOR THE PRODUCTION OF ANILINES CBR3, C1S, C9 HTR6 3838/4885HTR7 2974/4885HTR1A 2460/4885
US-20080318776-A1 2,6-Diethyl-4-Methylphenyl-Substituted Tetramic Acid Derivatives DDT, TET1, TET3 HTR6 1916/4885HTR7 3428/4885HTR1A 4023/4885

“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.