SCHEMBL4029530

SCHEMBL4029530

O=C(C=Cc1cccs1)N1CCN2CCC1CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
BCHE P06276 1/20 0.51
LMNA P02545 4/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
NPC1 O15118 2/20 0.48
MAPT P10636 3/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MCL1 Q07820 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
SCHEMBL13887190 1.00 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2BCHELMNAPOLB
SCHEMBL372772 0.79 CHRNA7 (0.54) SMN1; SMN2LMNAPOLBRAB9AMEN1
SCHEMBL4030339 0.77 GUSB (0.41) CHRNA7HTR3A
SCHEMBL13887379 0.75 CHRNA7 (0.58) ALDH1A1SMN1; SMN2LMNAPOLBRAB9A
SCHEMBL19961330 0.75 BCHE (0.56) ALDH1A1SMN1; SMN2BCHELMNAPOLB
SCHEMBL13887191 0.75 CHRNA7 (0.46) KMT2AL3MBTL1CHRNA7HTR3A
SCHEMBL4029838 0.75 CHRNA7 (0.46) KMT2AL3MBTL1CHRNA7HTR3A
SCHEMBL4027798 0.75 CHRNA7 (0.58) ALDH1A1SMN1; SMN2LMNAPOLBRAB9A
SCHEMBL4031691 0.72 HCAR2 (0.48) ALDH1A1HCAR2MAPTCHRNA7HTR3A
SCHEMBL4027623 0.72 HPGD (0.60) ALDH1A1SMN1; SMN2BCHELMNARAB9A

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
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
EP-1539764-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016616-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2004-02-26 WO 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 ALDH1A1 720/4885SMN1; SMN2 1517/4885BCHE 46/4885

“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.