SCHEMBL1797352

SCHEMBL1797352

Cn1c2ccc(OCCCN3CCC3)cc2c(=O)c2ccc(OCCCN3CCC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.54
SIGMAR1 Q99720 3/20 0.50
MAOB P27338 12/20 0.49
ACHE P22303 4/20 0.49
BCHE P06276 3/20 0.49
HRH3 Q9Y5N1 11/20 0.48

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
SCHEMBL1795451 0.98 XDH (0.57) XDHSIGMAR1MAOBACHEBCHE
SCHEMBL1796517 0.96 XDH (0.57) XDHSIGMAR1MAOBACHEBCHE
SCHEMBL1795296 0.95 XDH (0.55) XDHSIGMAR1MAOBACHEBCHE
SCHEMBL1794596 0.95 XDH (0.58) XDHSIGMAR1MAOBACHEBCHE
SCHEMBL1794312 0.94 SIGMAR1 (0.49) XDHSIGMAR1MAOBACHEBCHE
SCHEMBL1794391 0.92 XDH (0.58) XDHSIGMAR1MAOBACHEBCHE
SCHEMBL1793526 0.92 XDH (0.61) XDHSIGMAR1MAOBACHEBCHE
SCHEMBL1795459 0.91 SIGMAR1 (0.52) XDHSIGMAR1MAOBACHEBCHE
SCHEMBL1793727 0.91 XDH (0.59) XDHSIGMAR1MAOBACHEBCHE
SCHEMBL1793591 0.91 XDH (0.62) XDHSIGMAR1MAOBACHEBCHE

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 49/4885SIGMAR1 81/4885MAOB 139/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 XDH 49/4885SIGMAR1 103/4885MAOB 99/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 XDH 242/4885SIGMAR1 135/4885MAOB 133/4885

“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.