SCHEMBL17811769

SCHEMBL17811769

CSCC(C)C(=O)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNA3 P32297 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
NR4A2 P43354 1/20 0.31

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
SCHEMBL10081166 1.00 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA4CHRNA3TDP1
SCHEMBL19602130 0.81 TDP1 (0.30) TDP1
SCHEMBL16549344 0.79 PDF (0.38) CHRNB2CHRNB4CHRNA4CHRNA3
SCHEMBL16549367 0.76 CYP2D6 (0.42)
SCHEMBL17640332 0.76 CYP2D6 (0.42)
SCHEMBL18231272 0.74 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA4CHRNA3
SCHEMBL16549345 0.74 GABRR1 (0.33) CHRNB2CHRNB4CHRNA4CHRNA3TDP1
SCHEMBL21785106 0.74
SCHEMBL855305 0.74
SCHEMBL861919 0.74

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
WO-2016087421-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 CHRNB2 3412/4885CHRNB4 3213/4885CHRNA4 3110/4885

“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.