SCHEMBL4033241

SCHEMBL4033241

O=C(C=CN1CCN2CCC1CC2)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.58
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
TP53 P04637 2/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAOB P27338 2/20 0.41
POLB P06746 2/20 0.41
MAOA P21397 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
PSMD14 O00487 1/20 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
SCHEMBL4027794 1.00 CHRNA7 (0.58) CHRNA7MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL372771 0.78 CHRNA7 (0.43) CHRNA7MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL4031687 0.76 MAPT (0.43) CHRNA7MAPTRAB9ANPC1KDM4E
SCHEMBL4029529 0.74 GAA (0.48) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL4029015 0.74 CHRNA7 (0.41) CHRNA7MAPTALDH1A1KMT2APOLB
SCHEMBL4032717 0.74 GAA (0.48) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL3331680 0.73 CHRNA7 (1.00) CHRNA7MAPTSMN1; SMN2RAB9APKM
Hydrochloric Acid SCHEMBL3326155 0.72 CHRNA7 (0.97) CHRNA7MAPTSMN1; SMN2RAB9APKM
SCHEMBL5225214 0.72 HRH3 (0.44) ALDH1A1GPR52
SCHEMBL4030335 0.71 GPR52 (0.39) CHRNA7ALDH1A1MEN1KMT2APOLB

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 1/4885MAPT 3363/4885SMN1; 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.