SCHEMBL807955

SCHEMBL807955

O=C(NCc1cnc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C(F)(F)F)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.40
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
CYP2C9 P11712 3/20 0.38
CCR2 P41597 3/20 0.38
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL15466443 0.92 KCNH2 (0.41) EPHX2KCNH2MCHR1CYP2C9KMT2A
SCHEMBL15466959 0.91 KCNH2 (0.41) EPHX2KCNH2MCHR1CYP2C9KMT2A
SCHEMBL794953 0.89 ALDH1A1 (0.35) EPHX2CYP2C9TSHR
SCHEMBL795219 0.89 KDM4E (0.34) CYP2C9TSHRKMT2A
SCHEMBL15467187 0.84 EPHX2 (0.45) EPHX2KCNH2MCHR1CYP2C9CCR2
SCHEMBL15467718 0.84 TSHR (0.38) EPHX2KCNH2MCHR1CYP2C9CCR2
SCHEMBL793870 0.83 TSHR (0.40) EPHX2KCNH2MCHR1CYP2C9CCR2
SCHEMBL794993 0.82 SCD (0.38) CYP2C9TSHR
SCHEMBL15466577 0.82 KCNH2 (0.38) EPHX2KCNH2MCHR1CYP2C9KMT2A
SCHEMBL15466297 0.82 TSHR (0.37) EPHX2KCNH2MCHR1CYP2C9CCR2

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 7 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-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
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
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.