SCHEMBL1797601

SCHEMBL1797601

Cn1c(=O)c2cc(OCCCN3CCC3)ccc2c2ccc(OCCCN3CCC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
ACHE P22303 5/20 0.50
BCHE P06276 1/20 0.50
MAOB P27338 1/20 0.50
XDH P47989 3/20 0.49
HRH3 Q9Y5N1 5/20 0.48
ADRA1A P35348 2/20 0.48
KCNH2 Q12809 2/20 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
SCHEMBL1795011 0.97 SIGMAR1 (0.54) SIGMAR1ACHEBCHEMAOBXDH
SCHEMBL1793308 0.96 ACHE (0.55) SIGMAR1ACHEBCHEMAOBXDH
SCHEMBL1794787 0.94 SIGMAR1 (0.50) SIGMAR1ACHEBCHEMAOBHRH3
SCHEMBL1797533 0.91 SIGMAR1 (0.53) SIGMAR1ACHEBCHEMAOBHRH3
SCHEMBL1795314 0.90 MAOB (0.55) SIGMAR1ACHEBCHEMAOBHRH3
SCHEMBL1799894 0.88 HRH3 (0.54) ACHEMAOBXDHHRH3KCNH2
SCHEMBL1794596 0.86 XDH (0.58) SIGMAR1ACHEBCHEMAOBXDH
SCHEMBL1795605 0.86 HRH3 (0.50) SIGMAR1ACHEBCHEMAOBXDH
SCHEMBL1796297 0.85 HRH3 (0.58) ACHEMAOBXDHHRH3KCNH2
SCHEMBL1797534 0.84 HRH3 (0.60) ACHEMAOBHRH3KCNH2

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 SIGMAR1 81/4885ACHE 89/4885BCHE 282/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 SIGMAR1 103/4885ACHE 43/4885BCHE 175/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 SIGMAR1 135/4885ACHE 50/4885BCHE 197/4885

“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.