SCHEMBL516861

SCHEMBL516861

c1ccc2c(c1)oc1c(-c3nnc(N4CCN5CCC4CC5)o3)cccc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.54
HTR3A P46098 3/20 0.50
KCNH2 Q12809 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PRKDC P78527 1/20 0.41
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
Fumaric Acid SCHEMBL516409 0.91 CHRNA7 (0.46) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL4035796 0.81 CHRNA7 (0.56) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL1689257 0.81 CHRNA7 (0.68) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL1688939 0.81 CHRNA7 (0.61) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL2638305 0.81 CHRNA7 (0.65) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL1753505 0.76 CHRNA7 (0.78) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL4035879 0.76 CHRNA7 (0.55) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL3649902 0.75 CHRNA7 (0.54) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL3646515 0.75 CHRNA7 (0.57) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL2638478 0.75 CHRNA7 (0.60) CHRNA7HTR3AKCNH2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028968-A1 NOVEL DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-02-02 US claimed
WO-2010086279-A1 NOVEL DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-08-05 WO claimed
US-20120028968-A1 NOVEL DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-02-02 US disclosed
US-20120028968-A1 NOVEL DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-02-02 US disclosed
US-20120028968-A1 NOVEL DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-02-02 US disclosed
WO-2010086279-A1 NOVEL DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-08-05 WO disclosed
WO-2010086279-A1 NOVEL DIBENZOFURANYL-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-20120028968-A1 NOVEL DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE CHRNA10, CHRNA6, CHRNA7 CHRNA7 3/4885HTR3A 259/4885KCNH2 957/4885

“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.