SCHEMBL2801828

SCHEMBL2801828

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
CTSK P43235 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BTK Q06187 1/20 0.38
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM1A O60341 1/20 0.35
HSD11B1 P28845 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4B Q07343 2/20 0.35
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL3577002 1.00 NR1H2 (0.38) NR1H2CTSKCA1CA2BTK
SCHEMBL29072038 1.00 NR1H2 (0.38) NR1H2CTSKCA1CA2BTK
SCHEMBL3575423 1.00 NR1H2 (0.38) NR1H2CTSKCA1CA2BTK
SCHEMBL7804290 0.89 NR1H2 (0.51) NR1H2CTSKCA1CA2HSD11B1
SCHEMBL19695872 0.89 NR1H2 (0.51) NR1H2CTSKCA1CA2HSD11B1
SCHEMBL3834063 0.87 CTSK (0.37) CTSKCA1CA2BTKNFKB1
SCHEMBL3830675 0.87 CTSK (0.37) CTSKCA1CA2BTKNFKB1
SCHEMBL3832353 0.87 CTSK (0.37) CTSKCA1CA2BTKNFKB1
SCHEMBL29057864 0.87 CTSK (0.37) CTSKCA1CA2BTKNFKB1
SCHEMBL20722443 0.86 CTSK (0.36) CTSKCA1CA2BTKNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116744929-A Compounds and uses thereof 福霍恩治疗公司 2023-09-12 CN disclosed
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS SCHRIMPF MICHAEL R (US) 2012-08-16 US disclosed
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 EP 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-20090203664-A1 (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6- DIAZABICYCLO[3.2.0]HEPTANE ABBOTT LABORATORIES (US) 2009-08-13 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-7538226-B2 (1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-20060035936-A1 (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE ABBVIE INC. 2006-02-16 US 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
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US disclosed
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use SCHRIMPF MICHAEL R (US) 2005-08-04 US disclosed
US-20040242641-A1 (1S,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-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
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 (10 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-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use CHRNA1, CHRM1, GALR1 NR1H2 94/4885CTSK 2068/4885CA1 1477/4885
US-20060035937-A1 (1S,5S)-3-(5,6-dichloropyridin-3-YL)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate DHPS, HCN2, DCPS NR1H2 4685/4885CTSK 4358/4885CA1 867/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 NR1H2 1220/4885CTSK 4478/4885CA1 518/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 NR1H2 1240/4885CTSK 4545/4885CA1 438/4885
US-20090203664-A1 (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6- DIAZABICYCLO[3.2.0]HEPTANE CHRNA6, CHRNA5, CHRNA3 NR1H2 468/4885CTSK 3619/4885CA1 2058/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 NR1H2 1220/4885CTSK 4478/4885CA1 518/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 NR1H2 1240/4885CTSK 4545/4885CA1 438/4885
US-20090198067-A1 (1S,5S)-3-(5,6-Dichloropyridin-3-YL)-3,6-Diazabicyclo[3.2.0]Heptane Benzenesulfonate DHPS, HCN2, DCPS NR1H2 4685/4885CTSK 4358/4885CA1 867/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 NR1H2 148/4885CTSK 2721/4885CA1 933/4885
US-20060035936-A1 (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE CHRNA6, CHRNA5, CHRNA3 NR1H2 468/4885CTSK 3619/4885CA1 2058/4885

“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.