SCHEMBL3711367

SCHEMBL3711367

c1coc(C2CCCCCCCC2(c2conn2)N2CCCCCCCN2)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.32
CHRM5 P08912 6/20 0.31
CHRM3 P20309 6/20 0.31
CHRM1 P11229 5/20 0.31
CHRM2 P08172 5/20 0.31
CHRM4 P08173 5/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL232581 0.79 PRCP (0.32) PRCP
SCHEMBL230172 0.75 PRCP (0.32) PRCP
SCHEMBL232814 0.72 GRIN1 (0.31)
SCHEMBL13280965 0.64
SCHEMBL3711365 0.62 CHRM2 (0.41) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL9370080 0.58 GRIN1 (0.49) PRCP
SCHEMBL9802807 0.58 SLC6A2 (0.33)
SCHEMBL929054 0.58 GRIN1 (0.49) PRCP
SCHEMBL1397537 0.57 GRIN1 (0.41) PRCP
SCHEMBL1758838 0.55 PBRM1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319397-A1 NOVEL N-OXIDES OF FURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2011-12-29 US claimed
WO-2010086280-A1 NOVEL N-OXIDES OF FURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-08-05 WO claimed
US-20110319397-A1 NOVEL N-OXIDES OF FURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2011-12-29 US disclosed
US-20110319397-A1 NOVEL N-OXIDES OF FURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2011-12-29 US disclosed
WO-2010086280-A1 NOVEL N-OXIDES OF FURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-08-05 WO disclosed
WO-2010086280-A1 NOVEL N-OXIDES OF FURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-08-05 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-20110319397-A1 NOVEL N-OXIDES OF FURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE CHRNA10, CHRNA7, CHRNA3 PRCP 4513/4885CHRM5 29/4885CHRM3 12/4885

“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.