SCHEMBL797864

SCHEMBL797864

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 4/20 0.36
EPHX2 P34913 7/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
CYP2C9 P11712 4/20 0.34
ALDH1A1 P00352 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
METAP2 P50579 1/20 0.32
ACACB O00763 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
SCHEMBL796012 0.93 CCR4 (0.35) CCR4EPHX2KCNH2MCHR1CYP2C9
SCHEMBL15466297 0.90 TSHR (0.37) EPHX2KCNH2MCHR1CYP2C9ALDH1A1
SCHEMBL798197 0.89 PTPN11 (0.33) CCR4METAP2
SCHEMBL17857812 0.89 NR1H2 (0.35) CCR4EPHX2METAP2ACACB
SCHEMBL798260 0.89 ATF1 (0.40) EPHX2KCNH2MCHR1CYP2C9ALDH1A1
SCHEMBL798417 0.85 CCR4 (0.35) CCR4EPHX2CYP2C9ALDH1A1RXFP1
SCHEMBL794556 0.82 PDE5A (0.33) CCR4EPHX2
SCHEMBL15466511 0.82 PDE5A (0.34) CCR4EPHX2ACACB
SCHEMBL794326 0.81 RXFP1 (0.36) EPHX2KCNH2MCHR1CYP2C9ALDH1A1
SCHEMBL15466959 0.81 KCNH2 (0.41) EPHX2KCNH2MCHR1CYP2C9KDM4E

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 215/4885EPHX2 1332/4885KCNH2 177/4885

“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.