SCHEMBL1794306

SCHEMBL1794306

O=c1c2ccc(OCCCN3CCCCC3)cc2sc2ccc(OCCCN3CCCCC3)cc12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.57
MAOB P27338 12/20 0.54
ACHE P22303 4/20 0.54
SIGMAR1 Q99720 3/20 0.54
BCHE P06276 3/20 0.54
HRH3 Q9Y5N1 13/20 0.53

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
SCHEMBL1795203 0.99 XDH (0.57) XDHMAOBACHESIGMAR1BCHE
SCHEMBL1794205 0.96 XDH (0.54) XDHMAOBACHESIGMAR1BCHE
SCHEMBL1797423 0.95 XDH (0.62) XDHMAOBACHESIGMAR1BCHE
SCHEMBL1794960 0.95 XDH (0.59) XDHMAOBACHESIGMAR1BCHE
SCHEMBL1795067 0.94 SIGMAR1 (0.53) XDHMAOBACHESIGMAR1HRH3
SCHEMBL1794773 0.94 XDH (0.61) XDHMAOBACHESIGMAR1BCHE
SCHEMBL1794777 0.94 XDH (0.58) XDHMAOBACHESIGMAR1BCHE
SCHEMBL1795696 0.93 SIGMAR1 (0.52) XDHMAOBSIGMAR1HRH3
SCHEMBL11937429 0.92 XDH (0.62) XDHMAOBACHESIGMAR1BCHE
SCHEMBL1793076 0.91 XDH (0.55) XDHMAOBACHESIGMAR1BCHE

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 10 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-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 49/4885MAOB 139/4885ACHE 89/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 XDH 49/4885MAOB 99/4885ACHE 43/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 XDH 242/4885MAOB 133/4885ACHE 50/4885

“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.