SCHEMBL540579

SCHEMBL540579

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.37
WDR91 A4D1P6 3/20 0.36
CYP3A4 P08684 5/20 0.35
USP2 O75604 3/20 0.35
DRD2 P14416 1/20 0.34
TSHR P16473 3/20 0.34
HIF1A Q16665 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL539838 0.91 RXRA (0.38) ARWDR91CYP3A4USP2HSD17B10
SCHEMBL540173 0.83 MAPT (0.40) ARUSP2HSD17B10MAPTHTT
SCHEMBL14844514 0.81 ACLY (0.37) ARKCNJ6KCNJ5KCNJ3
SCHEMBL1292216 0.81 ACLY (0.37) ARKCNJ6KCNJ5KCNJ3
SCHEMBL539835 0.81 KCNJ6 (0.33) ARCYP3A4USP2TSHRKCNJ6
SCHEMBL8931774 0.81 MEN1 (0.37) ARCYP3A4USP2KCNJ6KCNJ5
SCHEMBL541199 0.81 KCNH2 (0.41) ARUSP2DRD2CYP2D6SMN1; SMN2
SCHEMBL540712 0.80 SMN1; SMN2 (0.35) ARMAPTHTTSMN1; SMN2
SCHEMBL540032 0.80 NOTUM (0.39) AR
SCHEMBL14044206 0.80 KCNH2 (0.32) ARMAPT

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 AR 4257/4885WDR91 193/4885CYP3A4 65/4885
US-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 AR 4257/4885WDR91 193/4885CYP3A4 65/4885
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES DDT, ITPR3, CYP51A1 AR 4257/4885WDR91 193/4885CYP3A4 65/4885

“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.