SCHEMBL8931774

SCHEMBL8931774

FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CCN(c2ccc(-n3cccc3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
HSD11B1 P28845 1/20 0.33
AR P10275 2/20 0.33
CHRNA7 P36544 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32
GRM2 Q14416 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
NLRP1 Q9C000 1/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 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
SCHEMBL540173 0.85 MAPT (0.40) MEN1MAPTKMT2ANPC1ALDH1A1
SCHEMBL8931776 0.83 NOTUM (0.46) MEN1MAPTKMT2AALDH1A1AR
SCHEMBL541199 0.82 KCNH2 (0.41) ARCHRNA10CHRNA9USP2
SCHEMBL539835 0.82 KCNJ6 (0.33) MAPTARLMNAKCNJ6KCNJ5
SCHEMBL540123 0.81 MAPT (0.32) MAPTAR
SCHEMBL14044206 0.81 KCNH2 (0.32) MAPTAR
SCHEMBL539838 0.81 RXRA (0.38) MEN1KMT2AARKCNJ6KCNJ5
SCHEMBL540579 0.81 AR (0.37) MAPTHTTARKCNJ6KCNJ5
SCHEMBL8970167 0.79 AR (0.35) MAPTALDH1A1ARLMNAALOX12
SCHEMBL20056502 0.79 HTR1A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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
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 MEN1 4820/4885MAPT 4582/4885KMT2A 1815/4885
US-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 MEN1 4820/4885MAPT 4582/4885KMT2A 1815/4885
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES DDT, ITPR3, CYP51A1 MEN1 4820/4885MAPT 4582/4885KMT2A 1815/4885

“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.