SCHEMBL3983147

SCHEMBL3983147

c1ccc(-c2ncc(CN3CCN4CCC3CC4)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 2/20 0.48
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
HDAC1 Q13547 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL3983242 0.78 SIGMAR1 (0.37) LMNAALDH1A1NPC1
SCHEMBL3986058 0.77 CYP2E1 (0.44) CYP11B1CYP11B2HCRTR1HCRTR2
SCHEMBL13356638 0.76 CYP11B1 (0.47) CYP11B1CYP11B2LMNASMN1; SMN2MAPK1
SCHEMBL5675103 0.76 CHRNA7 (0.41) SMN1; SMN2ALDH1A1NPC1RAB9AHRH3
SCHEMBL3989432 0.75 DRD2 (0.56) HCRTR1HCRTR2ALDH1A1DRD2DRD4
SCHEMBL3985158 0.75 SIGMAR1 (0.48)
Bromide SCHEMBL5675094 0.75 CHRNA7 (0.40) SMN1; SMN2ALDH1A1NPC1RAB9AHRH3
SCHEMBL5230662 0.74 SIGMAR1 (0.49) DRD2DRD4DRD3HRH3
SCHEMBL3986591 0.74 CYP11B1 (0.45) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL3988922 0.74 OPRK1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482338-B2 Non-amide nonanes ASTRAZENECA AB (SE) 2009-01-27 US claimed
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
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 CYP11B1 1790/4885CYP11B2 1178/4885LMNA 1146/4885

“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.