SCHEMBL4027798

SCHEMBL4027798

O=C(C=Cc1ccco1)N1CCN2CCC1CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.58
ALDH1A1 P00352 12/20 0.55
MAPT P10636 7/20 0.55
POLB P06746 7/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 4/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
PKM P14618 3/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
HCAR2 Q8TDS4 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
CTDSP1 Q9GZU7 2/20 0.46

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
SCHEMBL13887379 1.00 CHRNA7 (0.58) CHRNA7ALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL372772 0.78 CHRNA7 (0.54) CHRNA7MAPTPOLBSMN1; SMN2RAB9A
SCHEMBL4031691 0.76 HCAR2 (0.48) CHRNA7ALDH1A1MAPTHCAR2
SCHEMBL2636761 0.75 ALDH1A1 (0.59) CHRNA7ALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2636757 0.75 ALDH1A1 (0.59) CHRNA7ALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2636759 0.75 ALDH1A1 (0.59) CHRNA7ALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL4029530 0.75 ALDH1A1 (0.55) CHRNA7ALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL13887190 0.75 ALDH1A1 (0.55) CHRNA7ALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL4029838 0.74 CHRNA7 (0.46) CHRNA7KMT2AL3MBTL1
SCHEMBL13887191 0.74 CHRNA7 (0.46) CHRNA7KMT2AL3MBTL1

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 CHRNA7 1/4885ALDH1A1 720/4885MAPT 3363/4885

“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.