SCHEMBL539828

SCHEMBL539828

CC(=O)NCc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.43
NR1H4 Q96RI1 5/20 0.43
ENPP2 Q13822 1/20 0.37
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
P2RX7 Q99572 4/20 0.36
NOTUM Q6P988 1/20 0.36
TRPV1 Q8NER1 2/20 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
SCHEMBL794407 0.92 EPHX2 (0.45) EPHX2NR1H4ENPP2KCNH2MCHR1
SCHEMBL540749 0.91 EPHX2 (0.37) EPHX2NR1H4P2RX7NOTUMTRPV1
SCHEMBL15466506 0.91 EPHX2 (0.42) EPHX2NR1H4ENPP2KCNH2MCHR1
SCHEMBL15465958 0.91 EPHX2 (0.42) EPHX2NR1H4ENPP2KCNH2MCHR1
SCHEMBL793911 0.91 EPHX2 (0.36) EPHX2NR1H4ENPP2KCNH2NOTUM
SCHEMBL15468119 0.91 TRPV1 (0.38) EPHX2NR1H4ENPP2KCNH2P2RX7
SCHEMBL794053 0.88 KCNH2 (0.44) EPHX2NR1H4KCNH2MCHR1P2RX7
SCHEMBL15467164 0.84 EPHX2 (0.40) EPHX2NR1H4ENPP2P2RX7NOTUM
SCHEMBL794817 0.84 EPHX2 (0.40) EPHX2NR1H4ENPP2KCNH2MCHR1
SCHEMBL8931764 0.84 AR (0.34) EPHX2NR1H4ENPP2NOTUM

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-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 US disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 US disclosed
CN-103282347-B Pesticidal arylpyrrolidines BAYER IP GMBH 2015-04-01 CN disclosed
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
US-20120232278-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-13 US disclosed
US-20120232278-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-13 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
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-20120232278-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 EPHX2 1114/4885NR1H4 2360/4885ENPP2 4175/4885
US-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 EPHX2 1114/4885NR1H4 2360/4885ENPP2 4175/4885
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES DDT, ITPR3, CYP51A1 EPHX2 1114/4885NR1H4 2360/4885ENPP2 4175/4885
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES DDT, ACHE, CAT EPHX2 1332/4885NR1H4 3054/4885ENPP2 2913/4885

“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.