SCHEMBL3984965

SCHEMBL3984965

c1ccc2c(CN3CCN4CCC3CC4)csc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.55
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP2A6 P11509 2/20 0.46
DRD2 P14416 8/20 0.46
DRD3 P35462 7/20 0.46
DRD4 P21917 5/20 0.46
HTR1A P08908 1/20 0.46
DRD1 P21728 1/20 0.46
HTR2A P28223 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
FAAH O00519 1/20 0.43
SLC6A4 P31645 1/20 0.42
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40

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
SCHEMBL10210828 0.72 CHRNA7 (0.97) CHRNA7CRHBPCRHR2SMN1; SMN2CYP2A6
SCHEMBL2033378 0.72 CYP1A2 (0.61) CHRNA7CRHBPCRHR2SMN1; SMN2CYP2A6
SCHEMBL2033381 0.72 CYP1A2 (0.61) CHRNA7CRHBPCRHR2SMN1; SMN2CYP2A6
SCHEMBL5230662 0.72 SIGMAR1 (0.49) DRD2DRD3DRD4
SCHEMBL4604624 0.71 CHRNA7 (0.51) CHRNA7CRHBPCRHR2SMN1; SMN2CYP2A6
SCHEMBL11307575 0.71 CHRNA7 (0.58) CHRNA7CRHBPCRHR2SMN1; SMN2CYP2A6
SCHEMBL807363 0.71 CHRNA7 (1.00) CHRNA7CRHBPCRHR2SMN1; SMN2CYP2A6
SCHEMBL15084319 0.70 CHRNA7 (0.61) CHRNA7CRHBPCRHR2SMN1; SMN2CYP2A6
SCHEMBL3982059 0.69 ALDH1A1 (0.47) SMN1; SMN2DRD2HTR1ASLC6A4CHRM2
SCHEMBL15084307 0.69 CHRNA7 (0.66) CHRNA7CRHBPCRHR2SMN1; SMN2DRD2

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
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

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 CHRNA7 17/4885CRHBP 3406/4885CRHR2 651/4885

“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.