SCHEMBL1797906

SCHEMBL1797906

CCN(CC)CCOc1ccc2c(=O)c3ccc(OCCN(CC)CC)cc3oc2c1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.77
BCHE P06276 4/20 0.65
ACHE P22303 4/20 0.65
SIGMAR1 Q99720 1/20 0.59
MAPT P10636 1/20 0.57
CHRNA7 P36544 1/20 0.57
KMT2A Q03164 1/20 0.57
TOP1 P11387 1/20 0.56
ALK Q9UM73 4/20 0.55

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
SCHEMBL1797338 0.95 XDH (0.74) XDHBCHEACHESIGMAR1MAPT
SCHEMBL1794658 0.93 XDH (0.88) XDHBCHEACHESIGMAR1
SCHEMBL3602493 0.92 XDH (0.67) XDHBCHEACHESIGMAR1MAPT
SCHEMBL7228382 0.92 XDH (0.81) XDHBCHEACHESIGMAR1
SCHEMBL1796862 0.91 XDH (0.64) XDHBCHEACHESIGMAR1MAPT
SCHEMBL7237795 0.91 XDH (0.80) XDHBCHEACHESIGMAR1
SCHEMBL7227795 0.91 XDH (0.80) XDHBCHEACHESIGMAR1
SCHEMBL7238001 0.91 XDH (0.80) XDHBCHEACHESIGMAR1
SCHEMBL1798693 0.90 XDH (0.64) XDHBCHEACHE
Hydrochloric Acid SCHEMBL11832267 0.90 XDH (0.62) XDHBCHEACHESIGMAR1MAPT

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 15 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
US-3953602-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-04-27 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 49/4885BCHE 282/4885ACHE 89/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 XDH 49/4885BCHE 175/4885ACHE 43/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 XDH 242/4885BCHE 197/4885ACHE 50/4885
US-20020055644-A1 Xanthone analogs for treating infectious diseases and complexation of heme and porphyrins XPA, XDH, HMOX1 XDH 2/4885BCHE 2466/4885ACHE 945/4885

“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.