SCHEMBL452570

SCHEMBL452570

CC(C)CC([C]=O)N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
FDPS P14324 2/20 0.31
ADAM17 P78536 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
SCHEMBL454026 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3MMP1MMP2
SCHEMBL455165 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3MMP1MMP2
SCHEMBL7427732 0.80 FDPS (0.32) DPP7FDPS
SCHEMBL678404 0.77 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL7111674 0.76 FDPS (0.32) DPP7FDPS
SCHEMBL6039579 0.76 FDPS (0.37) DPP7FDPS
SCHEMBL678969 0.74 SLC6A3 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL19407706 0.74 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MMP1MMP2
SCHEMBL18828088 0.74 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MMP1MMP2
SCHEMBL8904036 0.74 HRH3 (0.40) SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150313891-A1 NEURONAL NICOTINIC AGONISTS AND METHODS OF USE ABBVIE INC. 2015-11-05 US disclosed
EP-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP disclosed
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES 2015-06-11 US disclosed
US-8987453-B2 Azaadamantane derivatives and methods of use ABBVIE INC. (US) 2015-03-24 US disclosed
EP-2231672-B1 BIARYL SUBSTITUTED DIAZABICYCLOHEPTANE DERIVATIVES AS nAChR MODULATORS ABBVIE INC (US) 2014-12-17 EP disclosed
US-8853241-B2 Biaryl substituted azabicyclic alkane derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-8802693-B1 Azaadamantane derivatives and methods of use ABBVIE INC. (US) 2014-08-12 US disclosed
US-20130317056-A1 NEURONAL NICOTINIC AGONISTS AND METHODS OF CORRELATING COMT SNPS ABBVIE INC. (US) 2013-11-28 US disclosed
US-20130317054-A1 NEURONAL NICOTINIC AGONIST AND METHODS OF USE ABBVIE INC. (US) 2013-11-28 US disclosed
US-20130317055-A1 NEURONAL NICOTINIC AGONIST AND METHODS OF USE ABBVIE INC. (US) 2013-11-28 US disclosed
WO-2009067579-A1 BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY MODULATORS ABBOTT LABORATORIES (US) 2009-05-28 WO disclosed
WO-2009067578-A2 NEW VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING ABBOTT LABORATORIES (US) 2009-05-28 WO disclosed
WO-2009067586-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2009-05-28 WO disclosed
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-09-25 US disclosed
US-20080167336-A1 Alzheimer's disease; central nervous system disorders; aids; Pick's disease; attention deficit disorder; hyperactivity; Down's syndrome, amytropic lateral sclerosis; Huntington's disease; suppression of smoking; drug abruse; brain disorders; analgesics; antiinflammatory agents ABBOTT LABORATORIES (US) 2008-07-10 US disclosed
WO-2008058096-A9 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBOTT LAB (US) 2008-06-26 WO disclosed
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
WO-2008058096-A2 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2008-05-15 WO disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US disclosed
WO-2005121090-A1 SUBSTITUTED PIPERIDINES THAT HAVE ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2005-12-22 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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 SLC6A2 107/4885SLC6A4 290/4885SLC6A3 128/4885
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE SLC6A2 1291/4885SLC6A4 1319/4885SLC6A3 611/4885
US-20130317055-A1 NEURONAL NICOTINIC AGONIST AND METHODS OF USE CHRNA7, CHRNA2, CHRNA5 SLC6A2 60/4885SLC6A4 437/4885SLC6A3 157/4885
US-20150313891-A1 NEURONAL NICOTINIC AGONISTS AND METHODS OF USE CHRNA7, CHRNA2, CHRNA5 SLC6A2 58/4885SLC6A4 421/4885SLC6A3 148/4885
US-20080167336-A1 Alzheimer's disease; central nervous system disorders; aids; Pick's disease; attention deficit disorder; hyperactivity; Down's syndrome, amytropic lateral sclerosis; Huntington's disease; suppression of smoking; drug abruse; brain disorders; analgesics; antiinflammatory agents HTT, ACHE, CHRNA10 SLC6A2 16/4885SLC6A4 25/4885SLC6A3 7/4885
US-20130317054-A1 NEURONAL NICOTINIC AGONIST AND METHODS OF USE CHRNA7, CHRNA2, CHRNA5 SLC6A2 61/4885SLC6A4 442/4885SLC6A3 161/4885
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE GNE, CYP3A5, UGT1A4 SLC6A2 400/4885SLC6A4 541/4885SLC6A3 374/4885
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 SLC6A2 107/4885SLC6A4 290/4885SLC6A3 128/4885

“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.