SCHEMBL3579689

SCHEMBL3579689

N#CCc1cc(N2C[C@H]3CCN(C(=O)O)[C@H]3C2)cnc1Br

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.38
CHRNB2 P17787 10/20 0.38
CHRNB4 P30926 10/20 0.38
CHRNA3 P32297 10/20 0.38
CHRNA4 P43681 10/20 0.38
USP30 Q70CQ3 8/20 0.35

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
SCHEMBL3580132 0.87 CHRNB2 (0.37) JAK3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL654453 0.86 RET (0.45) JAK3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3572584 0.84 CHRNB2 (0.55) JAK3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3578532 0.84 CHRNB2 (0.38) JAK3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3578060 0.81 CHRNB2 (0.34) JAK3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6834994 0.78 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL3585485 0.78 CHRNB2 (0.36) JAK3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL654454 0.78 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL3579987 0.77 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4USP30
Fumaric Acid SCHEMBL652861 0.77 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4

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 JAK3 4396/4885CHRNB2 10/4885CHRNB4 15/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 JAK3 4396/4885CHRNB2 10/4885CHRNB4 15/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 JAK3 4502/4885CHRNB2 11/4885CHRNB4 15/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 JAK3 4396/4885CHRNB2 10/4885CHRNB4 15/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 JAK3 4502/4885CHRNB2 11/4885CHRNB4 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.