SCHEMBL794609

SCHEMBL794609

O=C(NCc1ccc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1Br)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.40
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 2/20 0.39
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
P2RX7 Q99572 3/20 0.35
NOTUM Q6P988 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL17857813 0.92 EPHX2 (0.41) EPHX2KCNH2MCHR1CYP2D6PKM
SCHEMBL794397 0.92 KCNH2 (0.44) EPHX2KCNH2MCHR1CYP2D6PKM
SCHEMBL15466459 0.90 KCNH2 (0.39) EPHX2KCNH2MCHR1KMT2A
SCHEMBL18229242 0.90 AR (0.42) EPHX2KCNH2MCHR1CYP2D6PKM
SCHEMBL18227011 0.90 AR (0.42) EPHX2KCNH2MCHR1CYP2D6PKM
SCHEMBL797804 0.90 EPHX2 (0.44) EPHX2KCNH2MCHR1NOTUM
SCHEMBL794436 0.89 EPHX2 (0.39) EPHX2NR1H4P2RX7
SCHEMBL794817 0.89 EPHX2 (0.40) EPHX2KCNH2MCHR1NR1H4P2RX7
SCHEMBL798252 0.87 EPHX2 (0.38) EPHX2KCNH2MCHR1CYP2D6PKM
SCHEMBL15466705 0.85 KCNH2 (0.48) EPHX2KCNH2MCHR1CYP2D6PKM

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 EPHX2 1332/4885KCNH2 177/4885MCHR1 1165/4885

“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.