SCHEMBL793715

SCHEMBL793715

CCC(=O)NCc1cnc(N2CCC(c3cc(Cl)c(F)c(Cl)c3F)(C(F)(F)F)C2)nc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.35
NR1H3 Q13133 3/20 0.35
CCR4 P51679 1/20 0.33
ATF1 P18846 1/20 0.33
NFKB1 P19838 1/20 0.33
PDE5A O76074 3/20 0.32
TRPV1 Q8NER1 7/20 0.32
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
P2RX7 Q99572 2/20 0.30

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
SCHEMBL15466494 0.92 NR1H2 (0.42) NR1H2NR1H3CCR4ATF1NFKB1
SCHEMBL17857816 0.90 EPHX2 (0.35) NR1H2NR1H3CCR4EPHX2
SCHEMBL15466275 0.89 CCR4 (0.33) CCR4PDE5ATRPV1EPHX2NR1H4
SCHEMBL3030705 0.87 NR1H2 (0.35) NR1H2NR1H3CCR4ATF1NFKB1
SCHEMBL794327 0.87 TRPV1 (0.36) CCR4TRPV1EPHX2NR1H4P2RX7
SCHEMBL794663 0.85 P2RX7 (0.33) CCR4TRPV1EPHX2NR1H4P2RX7
SCHEMBL15467152 0.85 ATF1 (0.40) NR1H2NR1H3CCR4ATF1NFKB1
SCHEMBL15466559 0.82 NR1H2 (0.36) NR1H2NR1H3ATF1NFKB1
SCHEMBL794301 0.81 CCR4 (0.34) NR1H2NR1H3CCR4PDE5AEPHX2
SCHEMBL793993 0.80 EPHX2 (0.40) CCR4TRPV1EPHX2NR1H4P2RX7

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 4 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-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
EP-2616437-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2013-07-24 EP disclosed
WO-2012035011-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-03-22 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 (1 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-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES DDT, ACHE, CAT NR1H2 2771/4885NR1H3 3129/4885CCR4 215/4885

“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.