SCHEMBL1794658

SCHEMBL1794658

CCN(CC)CCCOc1ccc2c(=O)c3ccc(OCCCN(CC)CC)cc3oc2c1

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.88
ACHE P22303 8/20 0.61
BCHE P06276 6/20 0.61
SIGMAR1 Q99720 2/20 0.60
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54

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
SCHEMBL7228382 0.96 XDH (0.81) XDHACHEBCHESIGMAR1
SCHEMBL1794651 0.95 XDH (0.84) XDHACHEBCHESIGMAR1
SCHEMBL7238001 0.95 XDH (0.80) XDHACHEBCHESIGMAR1MAOA
SCHEMBL7237795 0.95 XDH (0.80) XDHACHEBCHESIGMAR1MAOA
SCHEMBL7227795 0.95 XDH (0.80) XDHACHEBCHESIGMAR1MAOA
SCHEMBL1797906 0.93 XDH (0.77) XDHACHEBCHESIGMAR1
SCHEMBL13438406 0.93 XDH (0.77) XDHACHEBCHESIGMAR1MAOB
SCHEMBL1797866 0.91 XDH (0.74) XDHACHEBCHESIGMAR1MAOA
SCHEMBL1795058 0.90 XDH (0.73) XDHACHEBCHE
SCHEMBL1793009 0.89 XDH (0.75) XDHACHEBCHESIGMAR1MAOB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 EP claimed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 US claimed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US claimed
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use SCHRIMPF MICHAEL R (US) 2005-08-04 US claimed
US-6613797-B2 New xanthone derivatives useful for treating protozoan diseases INTERLAB, INC. 2003-09-02 US claimed
US-20020055644-A1 Xanthone analogs for treating infectious diseases and complexation of heme and porphyrins INTERLAB, INC. 2002-05-09 US claimed
US-7951791-B2 e.g. 2,7-bis-[(3R)-1-azabicyclo[2.2.2]octan-3-yloxy]-fluoren-9-one; alpha 7 Nicotinic acetylcholine receptors ligands; cognitive disorder, neurodegeneration, and neurodevelopmental disorders ABBOTT LABORATORIES (US) 2011-05-31 US disclosed
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 EP disclosed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
US-7365193-B2 Amino-substituted tricyclic derivatives and methods of use ABBOTT LABORATORIES (US) 2008-04-29 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-6613797-B2 New xanthone derivatives useful for treating protozoan diseases INTERLAB, INC. 2003-09-02 US disclosed
US-20020055644-A1 Xanthone analogs for treating infectious diseases and complexation of heme and porphyrins INTERLAB, INC. 2002-05-09 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 (4 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 XDH 49/4885ACHE 89/4885BCHE 282/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 XDH 49/4885ACHE 43/4885BCHE 175/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 XDH 242/4885ACHE 50/4885BCHE 197/4885
US-20020055644-A1 Xanthone analogs for treating infectious diseases and complexation of heme and porphyrins XPA, XDH, HMOX1 XDH 2/4885ACHE 945/4885BCHE 2466/4885

“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.