SCHEMBL2331040

SCHEMBL2331040

CCC(=O)N1CC2CC(c3ccc(N)cc3)C2C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.42
CHRNA3 P32297 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
EPHX2 P34913 2/20 0.39
JAK1 P23458 2/20 0.37
JAK3 P52333 2/20 0.37
TACR1 P25103 1/20 0.35
KDM1A O60341 2/20 0.34
PDE4B Q07343 1/20 0.34
MC4R P32245 1/20 0.33
OPRM1 P35372 1/20 0.33
BLM P54132 1/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL2331034 1.00 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2327325 0.86 EPHX2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2328557 0.82 EPHX2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2326379 0.82 EPHX2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2331642 0.79 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1546844 0.78 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2329847 0.75 DRD2 (0.45) EPHX2KCNH2
SCHEMBL2332423 0.75 DRD2 (0.45) EPHX2KCNH2
SCHEMBL2329655 0.70 ALDH1A1 (0.43) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL15932468 0.68 CHRNB2 (0.67) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7

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
EP-1812389-B1 AZABICYCLOHEPTYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-08-17 EP disclosed
US-7834048-B2 Azabicycloheptyl compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2010-11-16 US disclosed
US-20090048326-A1 Azabicycloheptyl compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-02-19 US disclosed
EP-1812389-A1 AZABICYCLOHEPTYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-01 EP disclosed
WO-2006040176-A1 AZABICYCLOHEPTYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 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-20090048326-A1 Azabicycloheptyl compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor DRD3, NR3C1, NR3C2 CHRNB2 250/4885CHRNA3 17/4885CHRNA4 122/4885

“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.