SCHEMBL3569677

SCHEMBL3569677

O=C(O)N1C[C@@H]2CCN(c3cncc(OCc4ccccc4)c3)[C@@H]2C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.42
F10 P00742 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIRT2 Q8IXJ6 3/20 0.39
SIRT1 Q96EB6 2/20 0.39
SIRT3 Q9NTG7 2/20 0.39
MCHR1 Q99705 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CHRNB2 P17787 4/20 0.39
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
CHRNA7 P36544 4/20 0.39
CHRNA4 P43681 4/20 0.39
SPHK2 Q9NRA0 1/20 0.38

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
SCHEMBL2064484 0.88 JAK2 (0.48)
SCHEMBL650659 0.88 JAK2 (0.48)
SCHEMBL3582649 0.80 CHRNB2 (0.44) HRH3HCRTR1HCRTR2CHRNB2CHRNB4
SCHEMBL650660 0.79 CHRNB2 (0.39) RIPK2SIRT2SIRT1SIRT3MCHR1
SCHEMBL1134622 0.78 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6415146 0.78 SLC6A7 (0.50) F10SIRT2SIRT1SIRT3
SCHEMBL9791042 0.77 USP30 (0.56) HRH3HCRTR1HCRTR2
SCHEMBL3578984 0.76 CHRNB2 (0.48) HCRTR1HCRTR2CHRNB2CHRNB4CHRNA3
SCHEMBL3571116 0.76 CHRNB2 (0.48) HCRTR1HCRTR2CHRNB2CHRNB4CHRNA3
SCHEMBL5123875 0.76 CHRNB2 (0.48) HCRTR1HCRTR2CHRNB2CHRNB4CHRNA3

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 RIPK2 3931/4885F10 3575/4885HRH3 2283/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 RIPK2 3931/4885F10 3575/4885HRH3 2283/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 RIPK2 4039/4885F10 3341/4885HRH3 2273/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 RIPK2 3931/4885F10 3575/4885HRH3 2283/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 RIPK2 4039/4885F10 3341/4885HRH3 2273/4885

“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.