SCHEMBL4128561

SCHEMBL4128561

CNC1C2CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
ACHE P22303 5/20 0.49
BACE1 P56817 4/20 0.49
BCHE P06276 3/20 0.49
FUCA1 P04066 2/20 0.49
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CXCR3 P49682 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL11413096 0.84 FUCA1 (0.60) ACHEBACE1BCHEFUCA1DRD2
SCHEMBL13102792 0.83 FUCA1 (0.51) KDM1AACHEBACE1BCHEFUCA1
SCHEMBL4619365 0.83 FUCA1 (0.51) KDM1AACHEBACE1BCHEFUCA1
SCHEMBL16837173 0.82 FUCA1 (0.58) ACHEBACE1BCHEFUCA1DRD2
SCHEMBL13853359 0.82 ACHE (0.63) ACHEBACE1BCHE
SCHEMBL68520 0.81 KDM1A (0.46) KDM1AACHEBACE1BCHEFUCA1
SCHEMBL76455 0.81 KDM1A (0.46) KDM1AACHEBACE1BCHEFUCA1
SCHEMBL3212351 0.81 ACHE (0.58) ACHEBACE1BCHEFUCA1DRD2
SCHEMBL21737903 0.81 ACHE (0.58) ACHEBACE1BCHEFUCA1DRD2
SCHEMBL26709643 0.81 ACHE (0.58) ACHEBACE1BCHEFUCA1DRD2

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-20090131410-A1 3-AZABICYCLOOCTANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
US-6559162-B2 Electrophysiological activity ASTRAZENECA AB (SE) 2003-05-06 US disclosed
EP-1244631-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-10-02 EP disclosed
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001047893-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-07-05 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 (2 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-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 KDM1A 1086/4885ACHE 2981/4885BACE1 4024/4885
US-20090131410-A1 3-AZABICYCLOOCTANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 KDM1A 1571/4885ACHE 129/4885BACE1 3913/4885

“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.