SCHEMBL1688939

SCHEMBL1688939

Clc1ccccc1-c1nnc(N2CCN3CCC2CC3)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.61
NPC1 O15118 2/20 0.51
TP53 P04637 2/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTR3A P46098 4/20 0.50
KCNH2 Q12809 4/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP3 P42574 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SENP8 Q96LD8 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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 SCHEMBL2114381 0.90 CHRNA7 (0.51) CHRNA7NPC1TP53RAB9AHPGD
SCHEMBL1689257 0.87 CHRNA7 (0.68) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL1753505 0.82 CHRNA7 (0.78) CHRNA7NPC1RAB9ASMN1; SMN2HTR3A
SCHEMBL516861 0.81 CHRNA7 (0.54) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL3646515 0.81 CHRNA7 (0.57) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL3649902 0.81 CHRNA7 (0.54) CHRNA7NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3650800 0.81 CHRNA7 (0.60) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL4035796 0.80 CHRNA7 (0.56) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL2638541 0.80 CHRNA7 (0.78) CHRNA7HTR3AKCNH2CHRNB4CHRNA3
SCHEMBL2637929 0.80 CHRNA7 (0.78) CHRNA7NPC1TP53RAB9ASMN1; SMN2

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 11 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
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
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-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
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 disclosed
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 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 (2 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 7/4885NPC1 1242/4885TP53 4874/4885
US-20120172353-A1 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL COMPOUNDS AND THEIR MEDICAL USE CHRNA3, CHRNA6, CHRNA2 CHRNA7 7/4885NPC1 1188/4885TP53 4876/4885

“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.