SCHEMBL3583285

SCHEMBL3583285

N#Cc1cncc(N2C[C@H]3CCN(C(=O)O)[C@H]3C2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.52
CHRNA4 P43681 9/20 0.52
CHRNB4 P30926 7/20 0.52
CHRNA3 P32297 7/20 0.52
CHRM4 P08173 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
LCAT P04180 2/20 0.38
USP30 Q70CQ3 2/20 0.38
NOTUM Q6P988 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
SCHEMBL3582770 0.91 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL3582776 0.91 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL3582772 0.91 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL3575755 0.89 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL3583331 0.88 CHRNB4 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3585756 0.84 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL653685 0.84 RET (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL3566798 0.82 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL3579666 0.82 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3577487 0.82 CHRNB2 (0.49) 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.