SCHEMBL649250

SCHEMBL649250

Fc1cncc(N2CCC[C@H]3CNC[C@H]32)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.58
HTR2C P28335 3/20 0.58
HTR2B P41595 3/20 0.58
CHRNB2 P17787 15/20 0.49
CHRNA4 P43681 15/20 0.49
CHRNB4 P30926 12/20 0.49
CHRNA3 P32297 12/20 0.49

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
SCHEMBL649251 1.00 HTR2A (0.58) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL649252 1.00 HTR2A (0.58) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL650507 0.93 HTR2A (0.66) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL650508 0.93 HTR2A (0.66) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL27594036 0.93 HTR2A (0.66) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL653930 0.83 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL653931 0.83 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL653932 0.83 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL654518 0.78 CHRNB2 (0.57) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL654519 0.78 CHRNB2 (0.57) HTR2AHTR2CHTR2BCHRNB2CHRNA4

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 11 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-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP 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 HTR2A 1259/4885HTR2C 940/4885HTR2B 756/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 HTR2A 1259/4885HTR2C 940/4885HTR2B 756/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 HTR2A 1346/4885HTR2C 969/4885HTR2B 865/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 HTR2A 1259/4885HTR2C 940/4885HTR2B 756/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 HTR2A 1346/4885HTR2C 969/4885HTR2B 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.