Sugi Predict

Sugi Predict / Compounds / SCHEMBL391952

SCHEMBL391952

SCHEMBL391952

c1cc2c(cc1-c1nnc(N3CCN4CCC3CC4)o1)OCCO2

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 3/20 0.66
▸ CHRNB4 P30926 1/20 0.55
▸ CHRNA3 P32297 1/20 0.55
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ METAP2 P50579 4/20 0.44
▸ TERT O14746 2/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL12274238 0.95 CHRNA7 (0.63) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL388683 0.93 CHRNA7 (0.66) CHRNA7CHRNB4CHRNA3NPC1RAB9A
Fumaric Acid SCHEMBL391501 0.91 CHRNA7 (0.55) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL1769897 0.87 CHRNA7 (0.62) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL767254 0.86 CHRNA7 (0.57) CHRNA7CHRNB4CHRNA3NPC1RAB9A
Fumaric Acid SCHEMBL392434 0.84 CHRNA7 (0.55) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL1395946 0.83 CHRNA7 (0.65) CHRNA7CHRNB4CHRNA3NOTUM
SCHEMBL1688975 0.81 CHRNA7 (0.79) CHRNA7CHRNB4CHRNA3
SCHEMBL1689175 0.80 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL18016318 0.80 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172353-A1 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL COMPOUNDS AND THEIR MEDICAL USE DANPET AB (SE) 2012-07-05 — — US claimed
US-20100216780-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE DANPET AB (SE) 2010-08-26 — — US claimed
US-20090118266-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE CANADIAN IMPERIAL BANK OF COMMERCE AS AGENT 2009-05-07 — — US claimed
EP-2032575-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-03-11 — — EP claimed
EP-2032574-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-03-11 — — EP claimed
WO-2007138037-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-12-06 — — WO claimed
WO-2007138038-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-12-06 — — WO claimed
US-8372832-B2 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl compounds and their medical use NEUROSEARCH A/S (DK) 2013-02-12 — — US disclosed
US-20120172353-A1 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL COMPOUNDS AND THEIR MEDICAL USE DANPET AB (SE) 2012-07-05 — — US disclosed
US-8158619-B2 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl compounds and their medical use NEUROSEARCH A/S (DK) 2012-04-17 — — US disclosed
US-8101598-B2 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives and their medical use NEUROSEARCH A/S (DK) 2012-01-24 — — US disclosed
US-20100317654-A1 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE ANIONA APS (DK) 2010-12-16 — — US disclosed
US-7807667-B2 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives and their medical use NEUROSEARCH A/S (DK) 2010-10-05 — — US disclosed
US-20100216780-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE DANPET AB (SE) 2010-08-26 — — US disclosed
EP-2194056-A1 Novel 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives and their medical use NeuroSearch A/S (DK) 2010-06-09 — — EP disclosed
US-20090118266-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE CANADIAN IMPERIAL BANK OF COMMERCE AS AGENT 2009-05-07 — — US disclosed
EP-2032575-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-03-11 — — EP disclosed
WO-2007138038-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-12-06 — — 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 (4 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-20100216780-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA6, CHRNA2 CHRNA7 7/4885CHRNB4 12/4885CHRNA3 1/4885
US-20090118266-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA2, CHRNA5 CHRNA7 8/4885CHRNB4 10/4885CHRNA3 1/4885
US-20120172353-A1 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL COMPOUNDS AND THEIR MEDICAL USE CHRNA3, CHRNA6, CHRNA2 CHRNA7 7/4885CHRNB4 12/4885CHRNA3 1/4885
US-20100317654-A1 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA2, CHRNA6 CHRNA7 6/4885CHRNB4 13/4885CHRNA3 1/4885

“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.