SCHEMBL793870

SCHEMBL793870

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
EPHX2 P34913 10/20 0.39
CCR2 P41597 3/20 0.39
CYP2C9 P11712 3/20 0.38
RXFP1 Q9HBX9 3/20 0.38
KDM4E B2RXH2 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
SCHEMBL793659 0.92 KCNH2 (0.39) KCNH2MCHR1EPHX2CYP2C9RXFP1
SCHEMBL15467466 0.91 KCNH2 (0.40) TSHRKMT2AKCNH2MCHR1EPHX2
SCHEMBL795833 0.89 CYP1A2 (0.34) TSHRMCHR1CYP2C9
SCHEMBL795686 0.89 NR1H2 (0.34) TSHRMCHR1EPHX2KDM4E
SCHEMBL15467718 0.85 TSHR (0.38) TSHRKMT2AKCNH2MCHR1EPHX2
SCHEMBL807955 0.83 EPHX2 (0.40) TSHRKMT2AKCNH2MCHR1EPHX2
SCHEMBL15467187 0.82 EPHX2 (0.45) KCNH2MCHR1EPHX2CCR2CYP2C9
SCHEMBL807886 0.82 SCD (0.43) TSHRMCHR1CYP2C9
SCHEMBL794660 0.82 EPHX2 (0.37) KMT2AKCNH2MCHR1EPHX2CYP2C9
SCHEMBL15466705 0.82 KCNH2 (0.48) KMT2AKCNH2MCHR1EPHX2CCR2

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 TSHR 356/4885KMT2A 2333/4885KCNH2 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.