SCHEMBL1801330

SCHEMBL1801330

Brc1ccccc1C1CC1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.55
HTR2C P28335 6/20 0.50
HTR2B P41595 6/20 0.50
HTR2A P28223 4/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 1/20 0.49
RAD52 P43351 1/20 0.38
HRH3 Q9Y5N1 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RCOR1 Q9UKL0 1/20 0.34
BRD4 O60885 1/20 0.34
BACE1 P56817 1/20 0.33

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
SCHEMBL3689578 0.76 CYP3A4 (0.35) KDM1AHTR2CHTR2BCYP3A4ALDH1A1
SCHEMBL3682416 0.76 CYP3A4 (0.35) KDM1AHTR2CHTR2BCYP3A4ALDH1A1
SCHEMBL3684020 0.76 CYP3A4 (0.35) KDM1AHTR2CHTR2BCYP3A4ALDH1A1
SCHEMBL13100735 0.76 HTR2A (0.49) HTR2CHTR2BHTR2ASLC6A2SLC6A3
SCHEMBL1802723 0.76 CYP3A4 (0.35) KDM1AHTR2CHTR2BCYP3A4ALDH1A1
SCHEMBL2343607 0.76 HTR2A (0.49) HTR2CHTR2BHTR2ASLC6A2SLC6A3
SCHEMBL1085944 0.76 CYP3A4 (0.35) KDM1AHTR2CHTR2BCYP3A4ALDH1A1
SCHEMBL31172423 0.72 KDM1A (0.61) KDM1AHTR2CHTR2BHTR2ASLC6A2
SCHEMBL15096162 0.72 KDM1A (0.96) KDM1AHTR2CHTR2BHTR2ASLC6A2
SCHEMBL12876076 0.72 KDM1A (0.61) KDM1AHTR2CHTR2BHTR2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951752-B2 O-cyclopropyl-carboxanilides and their use as fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-05-31 US disclosed
US-7820830-B2 Process for the production of carboxanilides SYNGENTA CROP PROTECTION, INC. (US) 2010-10-26 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
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
US-20090197925-A1 O-CYCLOPROPYL-CARBOXANILIDES AND THEIR USE SYNGENTA CROP PROTECTION, INC. (US) 2009-08-06 US disclosed
EP-1931618-B1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 EP disclosed
US-20090177011-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA CROP PROTECTION, INC. (US) 2009-07-09 US 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
EP-1829865-A2 Chemical compounds Syngeta Participations AG (CH) 2007-09-05 EP disclosed
EP-1819660-A1 PROCESS FOR THE PRODUCTION OF ANILINES Syngeta Participations AG (CH) 2007-08-22 EP disclosed
EP-1480955-B1 O-CYCLOPROPYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-06-27 EP 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
WO-2006061226-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-15 WO disclosed
US-20050221989-A1 O-cyclopropyl-carboxanilides and their use as fungicides SYNGENTA CROP PROTECTION, INC. 2005-10-06 US disclosed
EP-1480955-A1 O-CYCLOPROPYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2004-12-01 EP disclosed
WO-2003074491-A1 O-CYCLOPROPYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-09-12 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 (5 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 KDM1A 967/4885HTR2C 2224/4885HTR2B 1717/4885
US-20050221989-A1 O-cyclopropyl-carboxanilides and their use as fungicides CBR3, CBR1, CYP2E1 KDM1A 1882/4885HTR2C 844/4885HTR2B 792/4885
US-20090197925-A1 O-CYCLOPROPYL-CARBOXANILIDES AND THEIR USE CBR3, CBR1, CYC1 KDM1A 3913/4885HTR2C 971/4885HTR2B 1014/4885
US-20090177011-A1 PROCESS FOR THE PRODUCTION OF ANILINES CYP1A1, AOC3, CYP1B1 KDM1A 162/4885HTR2C 1487/4885HTR2B 1943/4885
US-20080262242-A1 Process For the Production of Carboxanilides FGFR2, FGFR4, CCKBR KDM1A 1268/4885HTR2C 1605/4885HTR2B 1057/4885

“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.