SCHEMBL539838

SCHEMBL539838

O=C(O)c1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MLYCD O95822 1/20 0.38
USP2 O75604 3/20 0.38
CYP3A4 P08684 3/20 0.38
EPHX2 P34913 1/20 0.38
AR P10275 6/20 0.37
ENPP2 Q13822 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
WDR91 A4D1P6 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
SSTR5 P35346 1/20 0.36

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
SCHEMBL540579 0.91 AR (0.37) USP2CYP3A4ARWDR91HSD17B10
SCHEMBL14844514 0.85 ACLY (0.37) RXRARXRBARKCNJ6KCNJ5
SCHEMBL1292216 0.85 ACLY (0.37) RXRARXRBARKCNJ6KCNJ5
SCHEMBL540032 0.84 NOTUM (0.39) ARSSTR5
SCHEMBL540173 0.83 MAPT (0.40) KDM4EMLYCDUSP2ARMEN1
SCHEMBL27971400 0.82 ACLY (0.36) ARENPP2KCNJ6KCNJ5KCNJ3
SCHEMBL8973529 0.81 HTT (0.43) CYP3A4EPHX2MEN1KMT2A
SCHEMBL539835 0.81 KCNJ6 (0.33) USP2CYP3A4ARKCNJ6KCNJ5
SCHEMBL8931774 0.81 MEN1 (0.37) USP2CYP3A4ARMEN1KMT2A
SCHEMBL541199 0.81 KCNH2 (0.41) KDM4EMLYCDUSP2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103483235-B The aryl pyrrolidines of desinsection BAYER LANDWIRTSCHAFTLICHE KULTURPFLANZEN SCIENCE AG (DE) 2015-09-09 CN disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 US disclosed
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
CN-101663261-B Insecticidal arylpyrrolidines BAYER CROPSCIENCE AG 2014-07-16 CN 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 RXRA 2404/4885RXRB 2087/4885KDM4E 629/4885
US-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 RXRA 2404/4885RXRB 2087/4885KDM4E 629/4885
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES DDT, ITPR3, CYP51A1 RXRA 2404/4885RXRB 2087/4885KDM4E 629/4885

“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.