SCHEMBL794053

SCHEMBL794053

O=C(NCc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
MCHR1 Q99705 3/20 0.44
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX2 P34913 9/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
P2RX7 Q99572 2/20 0.41
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL794397 0.93 KCNH2 (0.44) KCNH2MCHR1CYP2D6PKMCYP2C19
SCHEMBL798235 0.91 EPHX2 (0.45) KCNH2MCHR1EPHX2P2RX7
SCHEMBL17857813 0.91 EPHX2 (0.41) KCNH2MCHR1CYP2D6PKMCYP2C19
SCHEMBL15466705 0.91 KCNH2 (0.48) KCNH2MCHR1CYP2D6PKMCYP2C19
SCHEMBL15465958 0.88 EPHX2 (0.42) KCNH2MCHR1EPHX2P2RX7NR1H4
SCHEMBL539828 0.88 EPHX2 (0.43) KCNH2MCHR1EPHX2P2RX7NR1H4
SCHEMBL18227011 0.86 AR (0.42) KCNH2MCHR1CYP2D6PKMCYP2C19
SCHEMBL18229242 0.86 AR (0.42) KCNH2MCHR1CYP2D6PKMCYP2C19
SCHEMBL797804 0.85 EPHX2 (0.44) KCNH2MCHR1EPHX2
SCHEMBL794609 0.85 EPHX2 (0.40) KCNH2MCHR1CYP2D6PKMCYP2C19

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 1165/4885CYP2D6 199/4885

“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.