SCHEMBL3990929

SCHEMBL3990929

c1ccc2nc(CN3CCN4CCC3CC4)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.41
OPRL1 P41146 1/20 0.41
CHRNA7 P36544 2/20 0.41
HTR3A P46098 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
DRD4 P21917 1/20 0.40
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MCHR1 Q99705 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL3985406 0.82 PDE10A (0.46) FAAHCHRNA7HTR3A
SCHEMBL3984886 0.76 KDM4C (0.38) CHRNA7HTR3ACYP1A2CHRNA3
SCHEMBL3983730 0.75 FAAH (0.39) FAAHCHRNA7HTR3ACHRNA3
SCHEMBL3988779 0.75 HCRTR1 (0.42) DRD4HCRTR1HCRTR2
SCHEMBL3990816 0.75 TRPV6 (0.46) HRH3CYP1A2CYP2C19
SCHEMBL3992376 0.74 CHRNA7 (0.44) FAAHCHRNA7HCRTR1HCRTR2
SCHEMBL3985029 0.74 ACHE (0.52) OPRL1HRH3CHRNA3
SCHEMBL1331198 0.73 FAAH (0.65) FAAHOPRL1HRH3DRD4MCHR1
SCHEMBL17289123 0.73 FAAH (0.65) FAAHOPRL1HRH3DRD4MCHR1
SCHEMBL3982059 0.72 ALDH1A1 (0.47) HCRTR1HCRTR2

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 7 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
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 FAAH 1199/4885OPRL1 302/4885CHRNA7 17/4885

“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.