SCHEMBL3988779

SCHEMBL3988779

c1ccc(-c2cccc(CN3CCN4CCC3CC4)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.42
HCRTR2 O43614 5/20 0.42
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE10A Q9Y233 1/20 0.38
HSD11B1 P28845 3/20 0.38
USP30 Q70CQ3 1/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 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
SCHEMBL3983730 0.79 FAAH (0.39) DRD2DRD3
SCHEMBL3989432 0.77 DRD2 (0.56) HCRTR1HCRTR2MEN1KMT2ADRD2
SCHEMBL3982197 0.76 MEN1 (0.50) MEN1RAB9AKMT2AUSP30
SCHEMBL3988922 0.76 OPRK1 (0.39) USP30
SCHEMBL3990816 0.76 TRPV6 (0.46) MEN1KMT2AHSD11B1
SCHEMBL3990929 0.75 FAAH (0.41) HCRTR1HCRTR2DRD4
SCHEMBL3991069 0.75 HCRTR1 (0.41) HCRTR1HCRTR2USP30DRD2DRD4
SCHEMBL3985158 0.74 SIGMAR1 (0.48)
SCHEMBL5228198 0.73 SIGMAR1 (0.42) HCRTR1HCRTR2DRD2DRD4DRD3
SCHEMBL14528290 0.73 SIGMAR1 (0.42) HCRTR1HCRTR2DRD2DRD4DRD3

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
EP-1673372-B1 NON-AMIDE NONANES ASTRAZENECA AB (SE) 2007-05-30 EP 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
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 HCRTR1 323/4885HCRTR2 178/4885MEN1 2081/4885

“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.