SCHEMBL234081

SCHEMBL234081

CN1COCN(Cc2ccc(F)nc2)C1=N[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM2 Q14416 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CASP6 P55212 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 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
SCHEMBL29578118 0.87 CHRM1 (0.36) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL420648 0.87 CHRM1 (0.36) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL237645 0.86 CHRNB2 (0.35) CHRNB2CHRNA4CYP11B1ALDH1A1SMN1; SMN2
SCHEMBL29578091 0.86 CHRNB2 (0.49) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL236408 0.86 CHRNB2 (0.49) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9403865 0.86 CHRNB2 (0.49) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL237657 0.86 CHRNB2 (0.35) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL237779 0.78
SCHEMBL7172981 0.76 CHRNB2 (0.48) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
Thiamethoxam SCHEMBL22916 0.74 LMNA (0.38) CHRNB2CHRNA4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225940-B1 Oil dispersions of nAChR binding neonicotinoids GAT MICROENCAPSULATION GMBH (AT) 2014-03-12 EP disclosed
US-8293733-B2 Oil dispersions of nAChR binding neonicotinoids GAT MICROENCAPSULATION AG (AT) 2012-10-23 US disclosed
US-20120004104-A1 OIL DISPERSIONS OF nAChR BINDING NEONICOTINOIDS GAT MICROENCAPSULATION AG (AT) 2012-01-05 US disclosed
EP-2225940-A1 Oil dispersions of nAChR binding neonicotinoids GAT Microencapsulation AG (AT) 2010-09-08 EP 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-20120004104-A1 OIL DISPERSIONS OF nAChR BINDING NEONICOTINOIDS CHRND, ITGAM, CHRM2 CHRNB2 21/4885CHRNA4 10/4885CYP11B1 2734/4885

“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.