SCHEMBL796012

SCHEMBL796012

O=C(NCc1cnc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)nc1C(F)F)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 3/20 0.35
KDM4E B2RXH2 2/20 0.35
EPHX2 P34913 9/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
CYP2C9 P11712 4/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PTGES O14684 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL797864 0.93 CCR4 (0.36) CCR4KDM4EEPHX2SMN1; SMN2KCNH2
SCHEMBL15466297 0.91 TSHR (0.37) KDM4EEPHX2KCNH2MCHR1CYP2C9
SCHEMBL794556 0.90 PDE5A (0.33) CCR4EPHX2PTGESTRPV1
SCHEMBL15466511 0.90 PDE5A (0.34) CCR4EPHX2
SCHEMBL794326 0.89 RXFP1 (0.36) KDM4EEPHX2SMN1; SMN2KCNH2MCHR1
SCHEMBL798417 0.88 CCR4 (0.35) CCR4KDM4EEPHX2SMN1; SMN2CYP2C9
SCHEMBL798197 0.82 PTPN11 (0.33) CCR4PTGESTRPV1
SCHEMBL17857812 0.82 NR1H2 (0.35) CCR4EPHX2PTGES
SCHEMBL15466443 0.81 KCNH2 (0.41) KDM4EEPHX2KCNH2MCHR1CYP2C9
SCHEMBL798260 0.81 ATF1 (0.40) KDM4EEPHX2KCNH2MCHR1CYP2C9

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 CCR4 215/4885KDM4E 856/4885EPHX2 1332/4885

“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.