SCHEMBL3984845

SCHEMBL3984845

O=C(c1ccccn1)N1CCN2CCC1CC2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
CHRNA7 P36544 3/20 0.52
HTR3A P46098 1/20 0.50
EPHX2 P34913 1/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA4 P43681 1/20 0.46
GRM5 P41594 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13050731 0.79 CHRNA7 (0.42) CHRNA7HTR3ACHRNA3
SCHEMBL3516320 0.79 CHRNA7 (0.42) CHRNA7HTR3ACHRNA3
SCHEMBL4702959 0.79 SLC6A7 (0.54) CHRNA7HTR3A
SCHEMBL6370221 0.79 CHRNA7 (0.43) CHRNA7HTR3ACHRNA3
SCHEMBL7479934 0.78 L3MBTL1 (0.57) L3MBTL1CHRNA7EPHX2CHRNA3CHRNB2
SCHEMBL4700028 0.78 GHSR (0.46) CHRNA7HTR3ACHRNA3
SCHEMBL4700217 0.77 KDM4E (0.56) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL4701391 0.77 CHRNA7 (0.42) CHRNA7HTR3ACHRNA3
SCHEMBL4700995 0.77 CHRNA7 (0.42) CHRNA7HTR3ACHRNA3
SCHEMBL4030570 0.76 CHRNA7 (0.60) L3MBTL1CHRNA7HTR3ACHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 L3MBTL1 3727/4885CHRNA7 17/4885HTR3A 153/4885

“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.