SCHEMBL3030705

SCHEMBL3030705

CCC(=O)NCc1cnc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)nc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 3/20 0.35
ATF1 P18846 1/20 0.34
NFKB1 P19838 1/20 0.34
PDE5A O76074 5/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
TRPV1 Q8NER1 8/20 0.33
CCR4 P51679 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
SCHEMBL15467152 0.92 ATF1 (0.40) NR1H2NR1H3ATF1NFKB1PDE5A
SCHEMBL2308717 0.92 NR1H2 (0.42) NR1H2NR1H3ATF1NFKB1PDE5A
SCHEMBL15466559 0.92 NR1H2 (0.36) NR1H2NR1H3ATF1NFKB1
SCHEMBL794326 0.89 RXFP1 (0.36) NR1H2NR1H3ATF1NFKB1EPHX2
SCHEMBL794556 0.89 PDE5A (0.33) PDE5AEPHX2NR1H4TRPV1CCR4
SCHEMBL793715 0.87 NR1H2 (0.35) NR1H2NR1H3ATF1NFKB1PDE5A
SCHEMBL13219713 0.86 EPHX2 (0.41) NR1H2NR1H3ATF1NFKB1PDE5A
SCHEMBL794401 0.86 EPHX2 (0.38) EPHX2NR1H4TRPV1
SCHEMBL15466655 0.84 EPHX2 (0.34) EPHX2NR1H4TRPV1
SCHEMBL2308710 0.84 NR1H2 (0.40) NR1H2NR1H3ATF1NFKB1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3095780-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2016-11-23 EP disclosed
US-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 US disclosed
US-20150073139-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-12 US disclosed
US-20150073139-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-12 US disclosed
US-20150011553-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-01-08 US disclosed
US-20150011553-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-01-08 US disclosed
US-8785647-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-22 US disclosed
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
US-20130310408-A1 Pesticidal Arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-21 US disclosed
US-8450483-B2 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2013-05-28 US disclosed
US-8450483-B2 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2013-05-28 US disclosed
US-8450483-B2 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2013-05-28 US disclosed
US-20100216792-A1 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2010-08-26 US disclosed
US-20100216792-A1 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2010-08-26 US disclosed
US-20100216792-A1 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2010-08-26 US disclosed
WO-2010043315-A1 PESTICIDAL (HETERO) ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-04-22 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 (5 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-20150011553-A1 Pesticidal Arylpyrrolidines DDT, AADAC, AHR NR1H2 3208/4885NR1H3 3381/4885ATF1 2644/4885
US-20100216792-A1 Pesticidal arylpyrrolidines DDT, AADAC, AHR NR1H2 3208/4885NR1H3 3381/4885ATF1 2644/4885
US-20150073139-A1 Pesticidal Arylpyrrolidines DDT, ACHE, QDPR NR1H2 3663/4885NR1H3 4029/4885ATF1 3410/4885
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES DDT, ACHE, CAT NR1H2 2771/4885NR1H3 3129/4885ATF1 937/4885
US-20130310408-A1 Pesticidal Arylpyrrolidines DDT, ACHE, QDPR NR1H2 3663/4885NR1H3 4029/4885ATF1 3410/4885

“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.