SCHEMBL232160

SCHEMBL232160

CC(C)n1ccc2ccc(-c3nnc(N4CCN5CCC4CC5)o3)cc21

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.68
CHRNB4 P30926 2/20 0.68
CHRNA3 P32297 2/20 0.68
HTR3A P46098 4/20 0.39
KCNH2 Q12809 3/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL233073 0.87 CHRNA7 (0.73) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL230959 0.84 CHRNA7 (0.79) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL19488944 0.83 CHRNA7 (0.82) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL233116 0.81 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL18016314 0.81 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
Fumaric Acid SCHEMBL232167 0.80 CHRNA7 (0.63) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2637916 0.79 CHRNA7 (0.67) CHRNA7CHRNB4CHRNA3HTR3A
Fumaric Acid SCHEMBL232394 0.78 CHRNA7 (0.68) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL232153 0.77 CHRNA7 (0.65) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL1688975 0.76 CHRNA7 (0.79) CHRNA7CHRNB4CHRNA3HTR3AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778928-B2 Indolyl-oxadiazolyl-diazabicyclononane derivatives and their medical and diagnostical use DANPET AB (SE) 2014-07-15 US claimed
US-20120003153-A1 NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE NEUROSEARCH A/S (DK) 2012-01-05 US claimed
EP-2389181-A1 NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE NeuroSearch A/S (DK) 2011-11-30 EP claimed
US-20110253589-A1 IMPACT-ABSORBING PACKAGE Innovative Enterprises, Inc (US) 2011-10-20 US claimed
WO-2010084185-A1 NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE NEUROSEARCH A/S (DK) 2010-07-29 WO claimed
US-8778928-B2 Indolyl-oxadiazolyl-diazabicyclononane derivatives and their medical and diagnostical use DANPET AB (SE) 2014-07-15 US disclosed
US-20120003153-A1 NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
EP-2389181-A1 NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE NeuroSearch A/S (DK) 2011-11-30 EP disclosed
US-20110253589-A1 IMPACT-ABSORBING PACKAGE Innovative Enterprises, Inc (US) 2011-10-20 US disclosed
WO-2010084185-A1 NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE NEUROSEARCH A/S (DK) 2010-07-29 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-20120003153-A1 NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE CHRNA6, CHRNA10, CHRNA3 CHRNA7 4/4885CHRNB4 14/4885CHRNA3 3/4885

“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.