SCHEMBL4028207

SCHEMBL4028207

O=C(c1ccc2ccccc2c1)N1CCN2CCC1CC2

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 1/20 0.64
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
CHRNA7 P36544 2/20 0.52
HTR3A P46098 1/20 0.52
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AKR1C1 Q04828 1/20 0.49
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL5420795 0.92 CHRNA3 (0.54) CHRNA3RAB9ANPC1CHRNA7HTR3A
SCHEMBL4030570 0.82 CHRNA7 (0.60) CHRNA3CHRNA7HTR3AL3MBTL3L3MBTL1
SCHEMBL4700437 0.79 CHRNA7 (0.55) CHRNA7HTR3ATSHRHPGDMEN1
SCHEMBL4030623 0.79 HSD11B1 (0.52) CHRNA7LMNA
SCHEMBL4026558 0.78 CHRNA3 (0.61) CHRNA3CHRNA7HTR3ATSHRHPGD
SCHEMBL4031149 0.77 CHRNA7 (0.54) CHRNA3CHRNA7HTR3AL3MBTL1MEN1
SCHEMBL4027734 0.77 HSD11B1 (0.53) CHRNA7HPGD
SCHEMBL4029985 0.77 CHRNA7 (0.51) CHRNA3CHRNA7HTR3AL3MBTL3L3MBTL1
SCHEMBL4025885 0.77 CHRNA7 (0.51) CHRNA3CHRNA7TSHRL3MBTL1MEN1
SCHEMBL4032087 0.77 L3MBTL3 (0.58) CHRNA3CHRNA7HPGDL3MBTL3L3MBTL1

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 5 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
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 CHRNA3 13/4885RAB9A 1223/4885NPC1 1313/4885

“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.