SCHEMBL1793308

SCHEMBL1793308

Cn1c(=O)c2cc(OCCCN3CCCCC3)ccc2c2ccc(OCCCN3CCCCC3)cc21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.55
SIGMAR1 Q99720 3/20 0.55
BCHE P06276 1/20 0.55
MAOB P27338 1/20 0.55
HRH3 Q9Y5N1 5/20 0.53
XDH P47989 2/20 0.53
ADRA1A P35348 1/20 0.52
KCNH2 Q12809 1/20 0.52
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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 0.99 SIGMAR1 (0.54) ACHESIGMAR1BCHEMAOBHRH3
SCHEMBL1797601 0.96 SIGMAR1 (0.51) ACHESIGMAR1BCHEMAOBHRH3
SCHEMBL1795314 0.94 MAOB (0.55) ACHESIGMAR1BCHEMAOBHRH3
SCHEMBL1797533 0.93 SIGMAR1 (0.53) ACHESIGMAR1BCHEMAOBHRH3
SCHEMBL1794787 0.90 SIGMAR1 (0.50) ACHESIGMAR1BCHEMAOBHRH3
SCHEMBL1797534 0.88 HRH3 (0.60) ACHEMAOBHRH3KCNH2KDM4E
SCHEMBL1796297 0.87 HRH3 (0.58) ACHEMAOBHRH3XDHKCNH2
SCHEMBL1793915 0.86 HRH3 (0.56) ACHESIGMAR1BCHEMAOBHRH3
SCHEMBL1793591 0.86 XDH (0.62) ACHESIGMAR1BCHEMAOBHRH3
SCHEMBL1797098 0.85 HRH3 (0.53) ACHESIGMAR1BCHEMAOBHRH3

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