SCHEMBL4027734

SCHEMBL4027734

O=C(c1cccc(F)c1)N1CCN2CCC1CC2

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
CHRNA7 P36544 1/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.50
PLA2G7 Q13093 1/20 0.50
HPGD P15428 1/20 0.49
GRM5 P41594 2/20 0.48
PIK3CD O00329 1/20 0.48
MGLL Q99685 1/20 0.47

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
SCHEMBL4031149 0.83 CHRNA7 (0.54) HSD11B1CHRNA7ALDH1A1KDM4E
SCHEMBL4032087 0.83 L3MBTL3 (0.58) HSD11B1CHRNA7ALDH1A1HPGDMGLL
SCHEMBL4025885 0.83 CHRNA7 (0.51) HSD11B1CHRNA7ALDH1A1KDM4EMGLL
SCHEMBL4029985 0.83 CHRNA7 (0.51) CHRNA7MGLL
SCHEMBL4700365 0.82 CHRNA7 (0.51) CHRNA7
SCHEMBL4030570 0.82 CHRNA7 (0.60) CHRNA7
SCHEMBL4700225 0.78 CHRNA7 (0.46) CHRNA7
SCHEMBL4028207 0.77 CHRNA3 (0.64) CHRNA7HPGD
SCHEMBL5914755 0.77 CHRNA7 (0.71) CHRNA7
SCHEMBL4700028 0.77 GHSR (0.46) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539764-B1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2009-04-29 EP claimed
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 US claimed
EP-1539764-B1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2009-04-29 EP disclosed
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 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-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists CHRNA7, CHRNB1, CHRNA1 HSD11B1 1637/4885TDP1 2012/4885SMN1; SMN2 1517/4885

“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.