SCHEMBL3985406

SCHEMBL3985406

c1ccc2nc(CN3CCN4CCC3CC4)cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.46
FAAH O00519 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHRNA7 P36544 3/20 0.40
HTR3A P46098 2/20 0.40
HTR1A P08908 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HRH4 Q9H3N8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL3990929 0.82 FAAH (0.41) FAAHCHRNA7HTR3A
SCHEMBL3992376 0.78 CHRNA7 (0.44) FAAHCHRNA7
SCHEMBL3984886 0.78 KDM4C (0.38) CHRNA7HTR3ASIGMAR1
SCHEMBL3990816 0.77 TRPV6 (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13356487 0.74 PDE10A (0.45) PDE10AFAAHMAPTMEN1KMT2A
SCHEMBL3988922 0.74 OPRK1 (0.39) HTR3A
SCHEMBL3983730 0.71 FAAH (0.39) FAAHCHRNA7HTR3ASIGMAR1
SCHEMBL3982059 0.71 ALDH1A1 (0.47) KMT2AHTR1ANPC1RAB9AALDH1A1
SCHEMBL3988779 0.71 HCRTR1 (0.42) PDE10AMEN1KMT2ARAB9A
SCHEMBL29150400 0.71 PDE10A (0.56) PDE10AFAAHMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673372-B1 NON-AMIDE NONANES ASTRAZENECA AB (SE) 2007-05-30 EP claimed
JP-2007506723-A 2007-03-22 JP claimed
US-20070043031-A1 4-(thiazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; 4-(2-phenyl-imidazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; nicotinic acetylcholine receptor agonists; diagnostics; amidation of 1,4-diaza-bicyclo[3.2.2]nonane, reduction and reductive amination ASTRAZENECA AB (SE) 2007-02-22 US claimed
EP-1673372-A1 NON-AMIDE NONANES AstraZeneca AB (SE) 2006-06-28 EP claimed
WO-2005030777-A1 NON-AMIDE NONANES ASTRAZENECA AB (SE) 2005-04-07 WO claimed
US-7482338-B2 Non-amide nonanes ASTRAZENECA AB (SE) 2009-01-27 US disclosed
US-7482338-B2 Non-amide nonanes ASTRAZENECA AB (SE) 2009-01-27 US disclosed
EP-1673372-B1 NON-AMIDE NONANES ASTRAZENECA AB (SE) 2007-05-30 EP disclosed
US-20070043031-A1 4-(thiazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; 4-(2-phenyl-imidazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; nicotinic acetylcholine receptor agonists; diagnostics; amidation of 1,4-diaza-bicyclo[3.2.2]nonane, reduction and reductive amination ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-20070043031-A1 4-(thiazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; 4-(2-phenyl-imidazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; nicotinic acetylcholine receptor agonists; diagnostics; amidation of 1,4-diaza-bicyclo[3.2.2]nonane, reduction and reductive amination ASTRAZENECA AB (SE) 2007-02-22 US disclosed
EP-1673372-A1 NON-AMIDE NONANES AstraZeneca AB (SE) 2006-06-28 EP disclosed
WO-2005030777-A1 NON-AMIDE NONANES ASTRAZENECA AB (SE) 2005-04-07 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-20070043031-A1 4-(thiazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; 4-(2-phenyl-imidazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; nicotinic acetylcholine receptor agonists; diagnostics; amidation of 1,4-diaza-bicyclo[3.2.2]nonane, reduction and reductive amination CHRND, CHRNE, CHRM2 PDE10A 867/4885FAAH 1199/4885MAPT 3983/4885

“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.