SCHEMBL794556

SCHEMBL794556

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CCR4 P51679 3/20 0.32
TRPV1 Q8NER1 8/20 0.32
PTGES O14684 1/20 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
SCHEMBL798197 0.93 PTPN11 (0.33) PDE5ACCR4TRPV1PTGES
SCHEMBL15466511 0.92 PDE5A (0.34) PDE5AEPHX2NR1H4CCR4
SCHEMBL17857814 0.91 PTGES (0.35) TRPV1PTGES
SCHEMBL796012 0.90 CCR4 (0.35) EPHX2CCR4TRPV1PTGES
SCHEMBL3030705 0.89 NR1H2 (0.35) PDE5AEPHX2NR1H4CCR4TRPV1
SCHEMBL15466275 0.88 CCR4 (0.33) PDE5AEPHX2NR1H4CCR4TRPV1
SCHEMBL17857812 0.84 NR1H2 (0.35) PDE5AEPHX2NR1H4CCR4PTGES
SCHEMBL796070 0.83 NR1H2 (0.35) PTGES
SCHEMBL797864 0.82 CCR4 (0.36) EPHX2CCR4
SCHEMBL15466655 0.81 EPHX2 (0.34) EPHX2NR1H4TRPV1PTGES

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 PDE5A 202/4885EPHX2 1332/4885NR1H4 3054/4885

“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.