SCHEMBL3985398

SCHEMBL3985398

c1ccc(-c2ncc(CN3CCN4CCC3CC4)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.53
DRD2 P14416 4/20 0.53
DRD3 P35462 3/20 0.53
HTR1A P08908 1/20 0.51
HTR3A P46098 1/20 0.51
KMT2A Q03164 1/20 0.49
CYP2D6 P10635 1/20 0.48
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSS P25774 2/20 0.39
NPY5R Q15761 1/20 0.39
SCN2A Q99250 1/20 0.39
ADRA2C P18825 1/20 0.38
PDE10A Q9Y233 1/20 0.37
USP30 Q70CQ3 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CCR5 P51681 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
SCHEMBL3988922 0.74 OPRK1 (0.39) HTR3AUSP30
SCHEMBL14507265 0.73 DRD4 (0.64) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL3985158 0.72 SIGMAR1 (0.48) CYP2D6
SCHEMBL3983147 0.72 CYP11B1 (0.48) DRD4DRD2DRD3KDM4E
Hydrochloric Acid SCHEMBL7037394 0.72 DRD4 (0.63) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL5230662 0.71 SIGMAR1 (0.49) DRD4DRD2DRD3
SCHEMBL7039513 0.69 DRD4 (1.00) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL14507266 0.69 DRD4 (0.64) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL14528290 0.69 SIGMAR1 (0.42) DRD4DRD2DRD3HTR1A
SCHEMBL5228198 0.69 SIGMAR1 (0.42) DRD4DRD2DRD3HTR1A

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 15 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-1674101-B1 Cinnamates of Benzo[b]pyrano[3,2-h]acridin-7-one, process for preparation thereof and their pharmaceutical composition SERVIER LAB (FR) 2007-11-14 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
EP-1674101-A1 Cinnamates of Benzo[b]pyrano[3,2-h]acridin-7-one, process for preparation thereof and their pharmaceutical composition Les Laboratoires Servier (FR) 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 DRD4 570/4885DRD2 113/4885DRD3 259/4885

“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.