SCHEMBL651625

SCHEMBL651625

c1cc2ncc(N3CC[C@H]4CNC[C@H]43)cc2o1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.48
HTR2A P28223 5/20 0.48
HTR2B P41595 5/20 0.48
HRH3 Q9Y5N1 1/20 0.43
CHRNB2 P17787 11/20 0.42
CHRNB4 P30926 11/20 0.42
CHRNA3 P32297 11/20 0.42
CHRNA4 P43681 11/20 0.42
DYRK1A Q13627 1/20 0.39

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
SCHEMBL651626 1.00 HTR2C (0.48) HTR2CHTR2AHTR2BHRH3CHRNB2
SCHEMBL653001 0.94 HTR2C (0.43) HTR2CHTR2AHTR2BHRH3CHRNB2
SCHEMBL652999 0.94 HTR2C (0.43) HTR2CHTR2AHTR2BHRH3CHRNB2
SCHEMBL653000 0.94 HTR2C (0.43) HTR2CHTR2AHTR2BHRH3CHRNB2
SCHEMBL653956 0.89 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL653955 0.89 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL653954 0.89 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL649621 0.83 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL649622 0.83 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL649620 0.83 CHRNB2 (0.58) 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 10 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-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP 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 HTR2C 940/4885HTR2A 1259/4885HTR2B 756/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 HTR2C 940/4885HTR2A 1259/4885HTR2B 756/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 HTR2C 969/4885HTR2A 1346/4885HTR2B 865/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 HTR2C 940/4885HTR2A 1259/4885HTR2B 756/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 HTR2C 969/4885HTR2A 1346/4885HTR2B 865/4885

“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.