SCHEMBL795181

SCHEMBL795181

CC(C)(C)OC(=O)NCc1ccc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2O)nc1Br

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
CCR2 P41597 4/20 0.37
TRPV1 Q8NER1 8/20 0.35
TACR1 P25103 3/20 0.35
P2RY14 Q15391 1/20 0.33
EPHX2 P34913 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL12467308 0.88 TRPV1 (0.36) CCR2TRPV1TACR1
SCHEMBL794134 0.87 TRPV1 (0.37) CCR2TRPV1TACR1
SCHEMBL807583 0.82 ALDH1A1 (0.38) CACNA1HCACNA1BCACNA1CTRPV1TACR1
SCHEMBL807621 0.81 CACNA1H (0.40) CACNA1HCACNA1BCACNA1CCCR2TRPV1
SCHEMBL12467244 0.81 TACR1 (0.32) TACR1CYP2D6TSHR
SCHEMBL808171 0.77 ALDH1A1 (0.37) CACNA1HCACNA1BCACNA1CTRPV1TACR1
SCHEMBL15474193 0.70 TRPV1 (0.36) TRPV1EPHX2
SCHEMBL795090 0.70 TRPV1 (0.36) TRPV1EPHX2
SCHEMBL794922 0.69 KCNH2 (0.37) EPHX2
SCHEMBL12467260 0.69 TACR1 (0.35) TRPV1TACR1CYP2D6TSHR

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 CACNA1H 422/4885CACNA1B 362/4885CACNA1C 87/4885

“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.