SCHEMBL807583

SCHEMBL807583

CC(C)(C)OC(=O)NCc1ccc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2O)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TRPV1 Q8NER1 2/20 0.36
DRD2 P14416 5/20 0.35
EPHX2 P34913 4/20 0.35
NR1H4 Q96RI1 2/20 0.35
KCNH2 Q12809 2/20 0.35
MCHR1 Q99705 2/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
LMNA P02545 1/20 0.34
TACR1 P25103 1/20 0.34
P2RY14 Q15391 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL808171 0.91 ALDH1A1 (0.37) ALDH1A1TRPV1DRD2EPHX2NR1H4
SCHEMBL794922 0.88 KCNH2 (0.37) EPHX2NR1H4KCNH2MCHR1LMNA
SCHEMBL794992 0.85 KCNH2 (0.46) ALDH1A1EPHX2KCNH2MCHR1P2RX7
SCHEMBL807608 0.85 KCNH2 (0.46) ALDH1A1EPHX2KCNH2MCHR1P2RX7
SCHEMBL795181 0.82 CACNA1H (0.39) TRPV1EPHX2CACNA1HCACNA1BCACNA1C
SCHEMBL807597 0.81 ALDH1A1 (0.37) ALDH1A1TRPV1DRD2EPHX2NR1H4
SCHEMBL794562 0.80 AR (0.31)
SCHEMBL17874618 0.75 P2RX7 (0.37) TRPV1EPHX2P2RX7
SCHEMBL15474190 0.73 EPHX2 (0.35) TRPV1EPHX2NR1H4P2RX7
SCHEMBL795264 0.73 EPHX2 (0.35) TRPV1EPHX2NR1H4P2RX7

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 3 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
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 ALDH1A1 322/4885TRPV1 293/4885DRD2 1221/4885

“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.