SCHEMBL540749

SCHEMBL540749

CC(=O)NCc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
SETDB1 Q15047 1/20 0.34
P2RX7 Q99572 5/20 0.34
PTGS2 P35354 1/20 0.33
CCR1 P32246 1/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
METAP2 P50579 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL539828 0.91 EPHX2 (0.43) EPHX2NR1H4P2RX7TRPV1NOTUM
SCHEMBL15468119 0.90 TRPV1 (0.38) EPHX2NR1H4P2RX7TRPV1
SCHEMBL793911 0.90 EPHX2 (0.36) EPHX2NR1H4SETDB1PTGS2CCR1
SCHEMBL794407 0.84 EPHX2 (0.45) EPHX2NR1H4P2RX7CCR1TRPV1
SCHEMBL2356854 0.83 TRPV1 (0.39) EPHX2NR1H4P2RX7TRPV1NOTUM
SCHEMBL28025344 0.83 SETDB1 (0.40) EPHX2NR1H4SETDB1METAP2
SCHEMBL15465958 0.82 EPHX2 (0.42) EPHX2NR1H4P2RX7TRPV1
SCHEMBL15466506 0.82 EPHX2 (0.42) EPHX2NR1H4P2RX7CCR1TRPV1
SCHEMBL794817 0.81 EPHX2 (0.40) EPHX2NR1H4P2RX7PTGS2CCR1
SCHEMBL15467164 0.81 EPHX2 (0.40) EPHX2NR1H4P2RX7CCR1TRPV1

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-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 US disclosed
US-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 US disclosed
US-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 US disclosed
US-9867375-B2 Methods of pest control in soybean SYNGENTA PARTICIPATIONS AG (CH) 2018-01-16 US disclosed
US-9867375-B2 Methods of pest control in soybean SYNGENTA PARTICIPATIONS AG (CH) 2018-01-16 US disclosed
US-9867375-B2 Methods of pest control in soybean SYNGENTA PARTICIPATIONS AG (CH) 2018-01-16 US disclosed
CN-103483235-B The aryl pyrrolidines of desinsection BAYER LANDWIRTSCHAFTLICHE KULTURPFLANZEN SCIENCE AG (DE) 2015-09-09 CN disclosed
US-20150237862-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2015-08-27 US disclosed
US-20150237862-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2015-08-27 US disclosed
US-20150208658-A1 METHODS OF SOIL PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2015-07-30 US disclosed
EP-2463265-A2 Process for the preparation of insecticidal aryl pyrrolidines Bayer CropScience AG (DE) 2012-06-13 EP disclosed
EP-2463265-A2 Process for the preparation of insecticidal aryl pyrrolidines Bayer CropScience AG (DE) 2012-06-13 EP disclosed
US-8188122-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
US-8188122-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
EP-2148853-B1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-02-08 EP disclosed
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-04-07 US disclosed
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-04-07 US disclosed
EP-2148853-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-02-03 EP disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 WO disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 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-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES DDT, ITPR3, CYP51A1 EPHX2 1114/4885NR1H4 2360/4885SETDB1 4420/4885
US-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN BTF3, BRS3, CCNB3 EPHX2 2402/4885NR1H4 901/4885SETDB1 1793/4885
US-20150208658-A1 METHODS OF SOIL PEST CONTROL C1S, CBR3, CNPY3 EPHX2 775/4885NR1H4 3618/4885SETDB1 3336/4885
US-20150237862-A1 METHODS OF PEST CONTROL IN SOYBEAN HRH4, HRH3, H1-3 EPHX2 2109/4885NR1H4 923/4885SETDB1 2064/4885

“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.