SCHEMBL4029529

SCHEMBL4029529

O=C(/C=C/N1CCN2CCC1CC2)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.48
MAPT P10636 11/20 0.44
RAB9A P51151 7/20 0.44
ALDH1A1 P00352 6/20 0.44
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
PKM P14618 2/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
TP53 P04637 3/20 0.43
MAPK1 P28482 3/20 0.43
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 5/20 0.41
NFKB2 Q00653 5/20 0.41
RELA Q04206 5/20 0.41

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
SCHEMBL4032717 1.00 GAA (0.48) GAAMAPTRAB9AALDH1A1NPC1
SCHEMBL372771 0.78 CHRNA7 (0.43) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4030335 0.76 GPR52 (0.39) ALDH1A1KMT2AMEN1HPGDGPR52
SCHEMBL4027794 0.74 CHRNA7 (0.58) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4029015 0.74 CHRNA7 (0.41) MAPTALDH1A1KMT2AALOX15GPR52
SCHEMBL4033241 0.74 CHRNA7 (0.58) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL5218110 0.72 MEN1 (0.45) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4031687 0.71 MAPT (0.43) MAPTRAB9AALDH1A1NPC1KMT2A
SCHEMBL4026644 0.71 ABCG2 (0.49) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6994738 0.71 MAPT (0.69) GAAMAPTRAB9AALDH1A1NPC1

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-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 GAA 2853/4885MAPT 3363/4885RAB9A 1223/4885

“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.