SCHEMBL2343607

SCHEMBL2343607

Clc1ccccc1C1CC1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.49
HTR2C P28335 5/20 0.49
HTR2B P41595 5/20 0.49
DPP4 P27487 2/20 0.46
SLC9A1 P19634 1/20 0.41
SLC6A3 Q01959 2/20 0.39
TP53 P04637 1/20 0.39
RECQL P46063 1/20 0.39
SLC6A2 P23975 2/20 0.37
HRH3 Q9Y5N1 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL13100735 1.00 HTR2A (0.49) HTR2AHTR2CHTR2BDPP4SLC9A1
SCHEMBL18611826 0.79 HTR2A (0.45) HTR2AHTR2CHTR2BDPP4SLC9A1
SCHEMBL1085944 0.76 CYP3A4 (0.35) HTR2CHTR2BSMN1; SMN2
SCHEMBL3684020 0.76 CYP3A4 (0.35) HTR2CHTR2BSMN1; SMN2
SCHEMBL1801330 0.76 KDM1A (0.55) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL1802723 0.76 CYP3A4 (0.35) HTR2CHTR2BSMN1; SMN2
SCHEMBL3689578 0.76 CYP3A4 (0.35) HTR2CHTR2BSMN1; SMN2
SCHEMBL3682416 0.76 CYP3A4 (0.35) HTR2CHTR2BSMN1; SMN2
SCHEMBL6568329 0.74 DPP4 (0.52) HTR2AHTR2CHTR2BDPP4SLC9A1
SCHEMBL6568327 0.74 DPP4 (0.52) HTR2AHTR2CHTR2BDPP4SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426646-B2 Process for the production of amines SYNGENTA CROP PROTECTION LLC (US) 2013-04-23 US disclosed
EP-2176212-B1 PROCESS FOR THE PRODUCTION OF AMINES SYNGENTA PARTICIPATIONS AG (CH) 2011-08-31 EP disclosed
US-7820830-B2 Process for the production of carboxanilides SYNGENTA CROP PROTECTION, INC. (US) 2010-10-26 US disclosed
US-20100256417-A1 PROCESS FOR THE PRODUCTION OF AROMATIC AMINDES IN THE PRESENCE OF A PALLADIUM COMPLEX COMPRISING A FERROCENYL BIPHOSPHINE LIGAND SYNGENTA CROP PROTECTION, INC. (US) 2010-10-07 US disclosed
US-20100228055-A1 PROCESS FOR THE PRODUCTION OF AMINES SYNGENTA CROP PROTECTION, INC. (US) 2010-09-09 US disclosed
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 disclosed
EP-2176212-A1 PROCESS FOR THE PRODUCTION OF AMINES Syngenta Participations AG (CH) 2010-04-21 EP disclosed
US-20090221855-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US disclosed
EP-1951677-B1 PROCESS FOR THE PRODUCTION OF CARBOXANILIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-09-02 EP disclosed
EP-1931618-B1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 EP disclosed
EP-2066617-A1 PROCESS FOR THE PRODUCTION OF AROMATIC AMINES IN THE PRESENCE OF A PALLADIUM COMPLEX COMPRISING A FERROCENYL BIPHOSPHINE LIGAND Syngeta Participations AG (CH) 2009-06-10 EP disclosed
WO-2009007033-A1 PROCESS FOR THE PRODUCTION OF AMINES SYNGENTA PARTICIPATIONS AG (CH) 2009-01-15 WO disclosed
EP-2014642-A1 Process for the production of amines Syngeta Participations AG (CH) 2009-01-14 EP disclosed
US-20080262242-A1 Process For the Production of Carboxanilides SYNGENTA CROP PROTECTION, INC. (US) 2008-10-23 US disclosed
EP-1951677-A1 PROCESS FOR THE PRODUCTION OF CARBOXANILIDES Syngeta Participations AG (CH) 2008-08-06 EP disclosed
EP-1931618-A1 PROCESS FOR THE PRODUCTION OF ANILINES Syngeta Participations AG (CH) 2008-06-18 EP disclosed
WO-2008017443-A1 PROCESS FOR THE PRODUCTION OF AROMATIC AMINES IN THE PRESENCE OF A PALLADIUM COMPLEX COMPRISING A FERROCENYL BIPHOSPHINE LIGAND SYNGENTA PARTICIPATIONS AG (CH) 2008-02-14 WO disclosed
WO-2007057140-A1 PROCESS FOR THE PRODUCTION OF CARBOXANILIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-05-24 WO disclosed
WO-2007025693-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2007-03-08 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 (4 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 HTR2A 2878/4885HTR2C 2224/4885HTR2B 1717/4885
US-20100228055-A1 PROCESS FOR THE PRODUCTION OF AMINES AOC1, C5, C1S HTR2A 2590/4885HTR2C 2296/4885HTR2B 2422/4885
US-20080262242-A1 Process For the Production of Carboxanilides FGFR2, FGFR4, CCKBR HTR2A 2446/4885HTR2C 1605/4885HTR2B 1057/4885
US-20100256417-A1 PROCESS FOR THE PRODUCTION OF AROMATIC AMINDES IN THE PRESENCE OF A PALLADIUM COMPLEX COMPRISING A FERROCENYL BIPHOSPHINE LIGAND AOC1, C5, C9 HTR2A 2084/4885HTR2C 2170/4885HTR2B 1716/4885

“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.