SCHEMBL793659

SCHEMBL793659

O=C(NCc1ccc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)nc1C(F)(F)F)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 2/20 0.39
RXFP1 Q9HBX9 3/20 0.38
EPHX2 P34913 10/20 0.38
CYP2C9 P11712 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL15467466 0.92 KCNH2 (0.40) KCNH2MCHR1RXFP1EPHX2CYP2C9
SCHEMBL793870 0.92 TSHR (0.40) KCNH2MCHR1RXFP1EPHX2CYP2C9
SCHEMBL794401 0.89 EPHX2 (0.38) EPHX2CYP2C9TRPV1
SCHEMBL794818 0.89 EPHX2 (0.39) EPHX2TRPV1
SCHEMBL794660 0.87 EPHX2 (0.37) KCNH2MCHR1RXFP1EPHX2CYP2C9
SCHEMBL794326 0.86 RXFP1 (0.36) KCNH2MCHR1RXFP1EPHX2CYP2C9
SCHEMBL794397 0.84 KCNH2 (0.44) KCNH2MCHR1EPHX2CYP2D6PKM
SCHEMBL15466443 0.83 KCNH2 (0.41) KCNH2MCHR1EPHX2CYP2C9KDM4E
SCHEMBL797804 0.83 EPHX2 (0.44) KCNH2MCHR1EPHX2CYP2C9
SCHEMBL10279049 0.83 SCD (0.40) EPHX2

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 5 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
CN-103282347-B Pesticidal arylpyrrolidines BAYER IP GMBH 2015-04-01 CN 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 KCNH2 177/4885MCHR1 1165/4885RXFP1 1157/4885

“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.