SCHEMBL2835362

SCHEMBL2835362

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 17/20 0.38
CHRNB4 P30926 17/20 0.38
CHRNA3 P32297 17/20 0.38
CHRNA4 P43681 17/20 0.38
CHRNA7 P36544 11/20 0.35
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL3570524 1.00 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3291228 1.00 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL25345451 0.98 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3579621 0.82 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4SLC1A2
SCHEMBL1586665 0.82 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4SLC1A2
SCHEMBL3580704 0.82 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4SLC1A2
SCHEMBL3815549 0.82 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL25967766 0.81 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3061000 0.79 MBTD1 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL653249 0.79 MBTD1 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-7723384-B2 Keto lactam compounds and use thereof ABBOTT GMBH & CO. KG. (DE) 2010-05-25 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
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-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-20070219182-A1 Keto Lactam Compounds and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-09-20 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-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 (9 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 CHRNB2 21/4885CHRNB4 26/4885CHRNA3 14/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 CHRNB2 10/4885CHRNB4 15/4885CHRNA3 14/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 CHRNB2 11/4885CHRNB4 15/4885CHRNA3 14/4885
US-20090203664-A1 (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6- DIAZABICYCLO[3.2.0]HEPTANE CHRNA6, CHRNA5, CHRNA3 CHRNB2 12/4885CHRNB4 17/4885CHRNA3 3/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 CHRNB2 10/4885CHRNB4 15/4885CHRNA3 14/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 CHRNB2 11/4885CHRNB4 15/4885CHRNA3 14/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 CHRNB2 11/4885CHRNB4 18/4885CHRNA3 13/4885
US-20060035936-A1 (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE CHRNA6, CHRNA5, CHRNA3 CHRNB2 12/4885CHRNB4 17/4885CHRNA3 3/4885
US-20070219182-A1 Keto Lactam Compounds and Use Thereof OPRD1, DRD3, OPRK1 CHRNB2 368/4885CHRNB4 522/4885CHRNA3 189/4885

“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.