SCHEMBL653248

SCHEMBL653248

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 3/20 0.39
L3MBTL3 Q96JM7 2/20 0.39
PARP1 P09874 2/20 0.36
CHRNB2 P17787 3/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNA7 P36544 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN9A Q15858 1/20 0.33
SLC1A2 P43004 1/20 0.32
PADI4 Q9UM07 1/20 0.32
HSD11B1 P28845 1/20 0.31
HRH4 Q9H3N8 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
SCHEMBL653249 1.00 MBTD1 (0.39) MBTD1L3MBTL3PARP1CHRNB2CHRNB4
SCHEMBL3061000 1.00 MBTD1 (0.39) MBTD1L3MBTL3PARP1CHRNB2CHRNB4
SCHEMBL18203996 0.89 MBTD1 (0.44) MBTD1L3MBTL3PARP1CHRNB2CHRNB4
SCHEMBL28501691 0.89 L3MBTL3 (0.47) MBTD1L3MBTL3PARP1L3MBTL1SLC1A2
SCHEMBL18203997 0.89 MBTD1 (0.44) MBTD1L3MBTL3PARP1CHRNB2CHRNB4
SCHEMBL13451547 0.89 MBTD1 (0.44) MBTD1L3MBTL3PARP1CHRNB2CHRNB4
SCHEMBL16765059 0.89 L3MBTL3 (0.47) MBTD1L3MBTL3PARP1L3MBTL1SLC1A2
SCHEMBL25391152 0.85 L3MBTL3 (0.47) MBTD1L3MBTL3PARP1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL25391154 0.83 L3MBTL3 (0.46) MBTD1L3MBTL3PARP1CHRNB2CHRNB4
SCHEMBL14224579 0.82 CHRNB2 (0.52) MBTD1L3MBTL3PARP1CHRNB2CHRNB4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021099285-A1 TRIAZATRICYCLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-05-27 WO disclosed
EP-2185555-B1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBVIE DEUTSCHLAND (DE) 2016-03-16 EP disclosed
US-8865702-B2 B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-8440694-B2 Quinoline compounds suitable for treating disorders that respond to modulation of the serotonin-5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-20130005703-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN-5-HT6 RECEPTOR ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-01-03 US disclosed
US-8293913-B2 Quinoline compounds suitable for treating disorders that respond to modulation of the serotonin-5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2012-10-23 US disclosed
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
US-20100292271-A1 Quinoline Compounds Suitable for Treating Disorders that Respond to Modulation of the Serotonin-5-HT6 Receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-11-18 US disclosed
EP-2185555-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2010-05-19 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
WO-2009019286-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-02-12 WO disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 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 (8 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 MBTD1 2997/4885L3MBTL3 4813/4885PARP1 4244/4885
US-20100292271-A1 Quinoline Compounds Suitable for Treating Disorders that Respond to Modulation of the Serotonin-5-HT6 Receptor HTR6, HTR1A, HTR3B MBTD1 1702/4885L3MBTL3 3711/4885PARP1 1089/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 MBTD1 2997/4885L3MBTL3 4813/4885PARP1 4244/4885
US-20130005703-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN-5-HT6 RECEPTOR HTR6, HTR1A, HTR3B MBTD1 1837/4885L3MBTL3 3865/4885PARP1 931/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 MBTD1 2894/4885L3MBTL3 4828/4885PARP1 4042/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 MBTD1 2855/4885L3MBTL3 4298/4885PARP1 1111/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 MBTD1 2997/4885L3MBTL3 4813/4885PARP1 4244/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 MBTD1 2894/4885L3MBTL3 4828/4885PARP1 4042/4885

“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.