SCHEMBL2873603

SCHEMBL2873603

N[C@@H]1CN(C(=O)O)C[C@@H]1CO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 3/20 0.35
SLC6A11 P48066 3/20 0.35
SLC6A13 Q9NSD5 3/20 0.35
SI P14410 1/20 0.33
GABRR1 P24046 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
SCHEMBL26615047 1.00 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13SIGABRR1
SCHEMBL26614925 1.00 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13SIGABRR1
SCHEMBL5773307 1.00 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13SIGABRR1
SCHEMBL2873601 1.00 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13SIGABRR1
SCHEMBL1586267 1.00 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13SIGABRR1
Hydrochloric Acid SCHEMBL21682454 0.98 SLC6A12 (0.38) SLC6A12SLC6A11SLC6A13SI
SCHEMBL3372261 0.84 POLB (0.32)
SCHEMBL2908775 0.84 POLB (0.32)
SCHEMBL2908778 0.84 POLB (0.32)
SCHEMBL1924790 0.83 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13GABRR1

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 24 patents — showing the first 20. 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
EP-1626973-B1 (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE IS AN EFFECTIVE ANALGESIC AGENT ABBOTT LAB (US) 2010-10-20 EP disclosed
EP-1771451-B1 (1S,5S)-3-(5,6-DICHLOROPYRIDIN-3-YL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE BENZENESULFONATE ABBOTT LAB (US) 2010-09-08 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-20090198067-A1 (1S,5S)-3-(5,6-Dichloropyridin-3-YL)-3,6-Diazabicyclo[3.2.0]Heptane Benzenesulfonate ABBOTT LABORATORIES (US) 2009-08-06 US disclosed
US-7498444-B2 (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate ABBOOTT LABORATORIES (US) 2009-03-03 US 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-7351833-B2 (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate ABBOTT LABORATORIES (US) 2008-04-01 US disclosed
WO-2006019668-A2 (1S,5S)-3-(5,6-DICHLOROPYRIDIN-3-YL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE BENZENESULFONATE ABBOTT LABORATORIES (US) 2006-02-23 WO disclosed
US-20060035937-A1 (1S,5S)-3-(5,6-dichloropyridin-3-YL)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate ABBVIE INC. 2006-02-16 US disclosed
US-20050261348-A1 (1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is an effective analgesic agent ABBOTT LABORATORIES 2005-11-24 US disclosed
WO-2005028477-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETY LCHOLINE RECEPTORS ABBOTT LABORATORIES (US) 2005-03-31 WO disclosed
US-20040242644-A1 (IS-5S)-3-(5,6-dichloro-3-pyridinyl-)-3,6-diazabicyclo[3.2.0]heptane is an effective analgesic agent ABBOTT LABORATORIES 2004-12-02 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
EP-1284976-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS Abbott Laboratories (US) 2003-02-26 EP disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 US disclosed
WO-2001081347-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2001-11-01 WO 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 SLC6A12 2965/4885SLC6A11 87/4885SLC6A13 96/4885
US-20060035937-A1 (1S,5S)-3-(5,6-dichloropyridin-3-YL)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate DHPS, HCN2, DCPS SLC6A12 649/4885SLC6A11 417/4885SLC6A13 320/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 SLC6A12 2965/4885SLC6A11 87/4885SLC6A13 96/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 SLC6A12 2879/4885SLC6A11 90/4885SLC6A13 97/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 SLC6A12 4747/4885SLC6A11 2677/4885SLC6A13 2883/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 SLC6A12 2965/4885SLC6A11 87/4885SLC6A13 96/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 SLC6A12 2879/4885SLC6A11 90/4885SLC6A13 97/4885
US-20090198067-A1 (1S,5S)-3-(5,6-Dichloropyridin-3-YL)-3,6-Diazabicyclo[3.2.0]Heptane Benzenesulfonate DHPS, HCN2, DCPS SLC6A12 649/4885SLC6A11 417/4885SLC6A13 320/4885

“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.