SCHEMBL3576741

SCHEMBL3576741

C=Cc1cncc(N2C[C@@H]3CN(C(=O)O)C[C@@H]32)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 16/20 0.38
CHRNA4 P43681 16/20 0.38
CHRNB4 P30926 12/20 0.38
CHRNA3 P32297 12/20 0.38
PTGS2 P35354 1/20 0.33
EPHX2 P34913 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 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
SCHEMBL3579727 0.83 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3HCRTR1
SCHEMBL3580057 0.83 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3HCRTR1
SCHEMBL4102061 0.83 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3HCRTR1
SCHEMBL654269 0.83 GPR119 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3575807 0.78 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3EPHX2
SCHEMBL3580089 0.78 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3HCRTR1
SCHEMBL3583494 0.78 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3HCRTR1
SCHEMBL3582114 0.78 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3HCRTR1
SCHEMBL3577001 0.77 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3EPHX2
Fumaric Acid SCHEMBL650077 0.76 CHRNB2 (0.57) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS SCHRIMPF MICHAEL R (US) 2012-08-16 US 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-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2008-04-24 US disclosed
US-7319106-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2008-01-15 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
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 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 (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-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 CHRNB2 10/4885CHRNA4 11/4885CHRNB4 15/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 CHRNB2 10/4885CHRNA4 11/4885CHRNB4 15/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 CHRNB2 11/4885CHRNA4 8/4885CHRNB4 15/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 CHRNB2 10/4885CHRNA4 11/4885CHRNB4 15/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 CHRNB2 11/4885CHRNA4 8/4885CHRNB4 15/4885

“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.