SCHEMBL16115489

SCHEMBL16115489

CC#Cc1cncc([C@]2(C#N)C[C@H]3CC[C@@H](C2)N3)c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.36
KCNH2 Q12809 2/20 0.36
BACE2 Q9Y5Z0 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
SCHEMBL17512213 1.00 BACE1 (0.36) BACE1KCNH2BACE2
SCHEMBL17512212 1.00 BACE1 (0.36) BACE1KCNH2BACE2
SCHEMBL17507209 0.87 CHRNB2 (0.36)
SCHEMBL17507211 0.87 CHRNB2 (0.36)
SCHEMBL16115008 0.87 CHRNB2 (0.36)
SCHEMBL7698407 0.87 CHRNB2 (0.36)
SCHEMBL16139903 0.84 CHRNA3 (0.34)
SCHEMBL17512216 0.84 CHRNA3 (0.34)
SCHEMBL17512217 0.84 CHRNA3 (0.34)
SCHEMBL16116218 0.84 CHRNA3 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160050929-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (GB) 2016-02-25 US disclosed
US-20160050929-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (GB) 2016-02-25 US disclosed
EP-2978317-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP disclosed
WO-2014154486-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO disclosed
WO-2014154486-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 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-20160050929-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS DDT, CRY1, NISCH BACE1 3440/4885KCNH2 1868/4885BACE2 2634/4885

“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.