SCHEMBL237651

SCHEMBL237651

O=[N+]([O-])N=C1NCCN1CC1CCOC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PIM1 P11309 2/20 0.33
HSD11B1 P28845 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
SCHEMBL8103082 1.00 CHRNB2 (0.38) CHRNB2CHRNA4PIM1HSD11B1
SCHEMBL8103292 0.92 CHRNB2 (0.33) CHRNB2CHRNA4HSD11B1
SCHEMBL8103290 0.92 CHRNB2 (0.33) CHRNB2CHRNA4HSD11B1
SCHEMBL9059438 0.85
SCHEMBL8551542 0.82
SCHEMBL8551549 0.82
SCHEMBL28811914 0.81 CHRNB2 (0.41) CHRNB2CHRNA4
SCHEMBL27962782 0.81 CHRNB2 (0.41) CHRNB2CHRNA4
SCHEMBL27962784 0.81 CHRNB2 (0.41) CHRNB2CHRNA4
SCHEMBL13472119 0.80 PIM1 (0.37) PIM1HSD11B1

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 12 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
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-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
US-20120004104-A1 OIL DISPERSIONS OF nAChR BINDING NEONICOTINOIDS GAT MICROENCAPSULATION AG (AT) 2012-01-05 US disclosed
US-20120004104-A1 OIL DISPERSIONS OF nAChR BINDING NEONICOTINOIDS GAT MICROENCAPSULATION AG (AT) 2012-01-05 US disclosed
WO-2010099965-A2 OIL DISPERSIONS OF NACHR BINDING NEONICOTINOIDS GAT MICROENCAPSULATION AG (AT) 2010-09-10 WO disclosed
EP-2225940-A1 Oil dispersions of nAChR binding neonicotinoids GAT Microencapsulation AG (AT) 2010-09-08 EP disclosed
EP-0685477-B1 Insecticidal tetrahydrofuran-compound MITSUI CHEMICALS INC (JP) 2000-10-18 EP disclosed
US-5614527-A NITROGUANIDINE COMPOUND MITSUI TOATSU CHEMICALS, INC. (JP) 1997-03-25 US disclosed
EP-0685477-A1 Insecticidal tetrahydrofuran-compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-12-06 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 10/4885PIM1 4229/4885

“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.