SCHEMBL16115751

SCHEMBL16115751

CC(C)(C)OC(=O)N1[C@@H]2C=C[C@H]1CC(C#N)C2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CTSK P43235 1/20 0.42
DPP4 P27487 1/20 0.39
GPR119 Q8TDV5 3/20 0.36
PREP P48147 3/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AR P10275 1/20 0.36
HSD11B1 P28845 1/20 0.35
NR1H2 P55055 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL16115094 1.00 CHRM2 (0.44) CHRM2CHRM1CHRM3CTSKDPP4
SCHEMBL17507219 1.00 CHRM2 (0.44) CHRM2CHRM1CHRM3CTSKDPP4
SCHEMBL26922641 0.81 CHRM2 (0.54) CHRM2CHRM1CHRM3CTSKDPP4
SCHEMBL31398492 0.81 CHRM2 (0.46) CHRM2CHRM1CHRM3CTSKDPP4
SCHEMBL16116400 0.79 CHRM2 (0.66) CHRM2CHRM1CHRM3CTSKDPP4
SCHEMBL796116 0.79 CHRM2 (0.66) CHRM2CHRM1CHRM3CTSKDPP4
SCHEMBL16115131 0.79 CHRM2 (0.66) CHRM2CHRM1CHRM3CTSKDPP4
SCHEMBL16135448 0.79 CHRM2 (0.66) CHRM2CHRM1CHRM3CTSKDPP4
SCHEMBL1721478 0.78 CHRM2 (0.53) CHRM2CHRM1CHRM3CTSKGPR119
SCHEMBL30798125 0.75 CHRM2 (0.50) CHRM2CHRM1CHRM3CTSKGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160214974-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-07-28 US disclosed
EP-3041833-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2016-07-13 EP disclosed
US-20160050930-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (UK) 2016-02-25 US disclosed
US-20160050929-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (GB) 2016-02-25 US disclosed
US-20160046620-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (GB) 2016-02-18 US disclosed
EP-2978316-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP disclosed
WO-2015032617-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-03-12 WO disclosed
WO-2014154488-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 (4 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-20160214974-A1 INSECTICIDAL COMPOUNDS ACHE, CYP1B1, CHRM1 CHRM2 15/4885CHRM1 3/4885CHRM3 37/4885
US-20160046620-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS CRY1, DDT, CYC1 CHRM2 113/4885CHRM1 139/4885CHRM3 296/4885
US-20160050929-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS DDT, CRY1, NISCH CHRM2 59/4885CHRM1 162/4885CHRM3 255/4885
US-20160050930-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS DDT, CRY1, NISCH CHRM2 50/4885CHRM1 111/4885CHRM3 201/4885

“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.