SCHEMBL807621

SCHEMBL807621

CC(C)(C)OC(=O)NCc1ccc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1Br

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1C Q13936 1/20 0.40
TACR1 P25103 3/20 0.35
CCR2 P41597 2/20 0.34
MCHR1 Q99705 1/20 0.33
TRPV1 Q8NER1 8/20 0.33
OPRM1 P35372 5/20 0.33
EIF2AK4 Q9P2K8 2/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
P2RY14 Q15391 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL12467260 0.88 TACR1 (0.35) TACR1MCHR1TRPV1OPRM1CYP2D6
SCHEMBL10279687 0.82 EPHX2 (0.37) TRPV1
SCHEMBL799014 0.81 SCD (0.42) MCHR1CYP2D6TSHRALDH1A1
SCHEMBL795181 0.81 CACNA1H (0.39) CACNA1HCACNA1BCACNA1CTACR1CCR2
SCHEMBL12467053 0.80 CYP3A4 (0.33) TACR1MCHR1CYP2D6TSHRALDH1A1
SCHEMBL794384 0.80 TACR1 (0.33) TACR1MCHR1CYP2D6TSHR
SCHEMBL794132 0.80 SCD (0.35) MCHR1CYP2D6TSHR
SCHEMBL795686 0.79 NR1H2 (0.34) TACR1MCHR1TRPV1OPRM1CYP2D6
SCHEMBL795833 0.78 CYP1A2 (0.34) MCHR1TRPV1CYP2D6TSHRALDH1A1
SCHEMBL15474198 0.77 SCD (0.33)

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.