SCHEMBL652105

SCHEMBL652105

Fc1cncc(N2CC3CNCC3C2)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.56
CHRNA4 P43681 7/20 0.56
CHRNA7 P36544 1/20 0.54
CHRNB4 P30926 5/20 0.48
CHRNA3 P32297 5/20 0.48
BPTF Q12830 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
SCHEMBL651490 1.00 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL653016 0.90 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL653017 0.90 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL653018 0.90 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6188593 0.84 CHRNB4 (0.57) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6187658 0.84 CHRNB4 (0.47) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL653515 0.83 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2327327 0.83 CHRNB4 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL653514 0.83 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL653513 0.83 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274710-B1 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH AS (DK) 2005-02-23 EP claimed
EP-1274710-A2 NOVEL HETEROARYL-DIAZABICYCLOALKANES NeuroSearch A/S (DK) 2003-01-15 EP claimed
US-20030004153-A1 Novel heteroaryl-diazabicycloalkanes NEUROSEARCH A/S (DK) 2003-01-02 US claimed
WO-2001044243-A2 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH A/S (DK) 2001-06-21 WO claimed
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS SCHRIMPF MICHAEL R (US) 2012-08-16 US disclosed
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
CN-101357915-B Diazabicyclic central nervous system active agents ABBOTT LAB 2011-07-06 CN disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed
CN-101935322-A Diazabicyclic central nervous system active agents ABBOTT LAB 2011-01-05 CN disclosed
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2010-01-21 US disclosed
US-7598236-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2009-10-06 US disclosed
US-6815438-B2 CENTRAL NERVOUS SYSTEM DISORDERS NEUROSEARCH A/S (DK) 2004-11-09 US disclosed
US-6809105-B2 (CIS)-6-(3-PYRIDINYL)-3,6-DIAZABICYCLO(3.2.0) HEPTANE FOR EXAMPLE; ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, ATTENTION DEFICIT HYPERACTIVITY DISORDER, DEPRESSION, NICOTINIC WITHDRAWAL SYNDROME, TOURETTE'S SYNDROME, AND SCHIZOPHRENIA ABBOTT LABORATORIES 2004-10-26 US disclosed
US-20040186107-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2004-09-23 US disclosed
CN-1440410-A Diazabicyclic central nervous system active agents ABBOTT LAB (US) 2003-09-03 CN disclosed
EP-1284976-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS Abbott Laboratories (US) 2003-02-26 EP disclosed
US-20030004153-A1 Novel heteroaryl-diazabicycloalkanes NEUROSEARCH A/S (DK) 2003-01-02 US disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 US disclosed
WO-2001081347-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2001-11-01 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 (5 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-20030004153-A1 Novel heteroaryl-diazabicycloalkanes CHRNA2, CHRNA5, CHRNA6 CHRNB2 6/4885CHRNA4 8/4885CHRNA7 4/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 CHRNB2 10/4885CHRNA4 11/4885CHRNA7 5/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 CHRNB2 11/4885CHRNA4 8/4885CHRNA7 6/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 CHRNB2 10/4885CHRNA4 11/4885CHRNA7 5/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 CHRNB2 11/4885CHRNA4 8/4885CHRNA7 6/4885

“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.