SCHEMBL652430

SCHEMBL652430

Cc1cc(N2C[C@H]3CCNC[C@@]32OC(=O)/C=C/C(=O)O[C@]23CNCC[C@@H]2CN3c2cnc(Cl)c(C)c2)cnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.43
CHRNA4 P43681 11/20 0.43
CHRNB4 P30926 10/20 0.43
CHRNA3 P32297 10/20 0.43
PIK3CD O00329 5/20 0.31
PIK3CA P42336 5/20 0.31
CHRM1 P11229 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL654104 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3PIK3CD
SCHEMBL3960988 0.89 CHRNB2 (0.31) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL649421 0.83 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL654321 0.80 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL650837 0.70 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL650938 0.70 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
Fumaric Acid SCHEMBL654103 0.65 CHRNB2 (0.81) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1526968 0.65 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3
Fumaric Acid SCHEMBL654105 0.65 CHRNB2 (0.81) CHRNB2CHRNA4CHRNB4CHRNA3
Fumaric Acid SCHEMBL652428 0.65 CHRNB2 (0.81) 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 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 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.