SCHEMBL1794674

SCHEMBL1794674

CCN(CC)CCCOc1ccc2c(=O)c3ccc(OCCCN(CC)CC)cc3n(C)c2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.59
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
KDM4E B2RXH2 1/20 0.52
SIGMAR1 Q99720 2/20 0.52
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A2 P23975 1/20 0.48
HRH1 P35367 1/20 0.48
MAPT P10636 1/20 0.48
CHRNA7 P36544 1/20 0.48
KMT2A Q03164 1/20 0.48
ALK Q9UM73 1/20 0.47
ACHE P22303 2/20 0.47
APP P05067 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL1794086 0.95 XDH (0.55) XDHPOLBGAAKDM4ESIGMAR1
SCHEMBL1793140 0.93 POLB (0.62) XDHPOLBGAASIGMAR1MAOB
SCHEMBL1795153 0.92 KDM4E (0.57) XDHPOLBGAAKDM4ESIGMAR1
SCHEMBL1794920 0.91 XDH (0.49) XDHPOLBGAAKDM4ESIGMAR1
SCHEMBL1793625 0.89 XDH (0.56) XDHPOLBGAAKDM4ESIGMAR1
SCHEMBL1794754 0.88 POLB (0.57) XDHPOLBGAASIGMAR1MAOB
SCHEMBL11379112 0.87 POLB (0.56) XDHPOLBGAASIGMAR1SLC6A4
SCHEMBL1796168 0.86 KDM4E (0.52) XDHPOLBGAAKDM4ESIGMAR1
SCHEMBL1795738 0.86 XDH (0.46) XDHPOLBGAASIGMAR1ACHE
SCHEMBL1793673 0.86 KDM4E (0.47) XDHKDM4ESIGMAR1MAOAHRH3

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 9 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 49/4885POLB 3276/4885GAA 944/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 XDH 49/4885POLB 3154/4885GAA 1377/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 XDH 242/4885POLB 3198/4885GAA 1399/4885

“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.