SCHEMBL1795459

SCHEMBL1795459

Cn1c2ccc(OCCN3CCCC3)cc2c(=O)c2ccc(OCCN3CCCC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.52
MAOB P27338 1/20 0.52
HRH3 Q9Y5N1 5/20 0.49
XDH P47989 4/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL1794355 0.99 MAOB (0.54) SIGMAR1MAOBHRH3XDHTSHR
SCHEMBL1794312 0.97 SIGMAR1 (0.49) SIGMAR1MAOBHRH3XDHBCHE
SCHEMBL1796429 0.95 MAOB (0.56) SIGMAR1MAOBHRH3XDHBCHE
SCHEMBL1795765 0.95 SIGMAR1 (0.56) SIGMAR1MAOBHRH3TSHR
SCHEMBL1795451 0.94 XDH (0.57) SIGMAR1MAOBHRH3XDHBCHE
SCHEMBL1793194 0.94 SIGMAR1 (0.57) SIGMAR1MAOBHRH3BCHEACHE
SCHEMBL1793217 0.94 MAOB (0.58) SIGMAR1MAOBHRH3XDH
SCHEMBL1796517 0.93 XDH (0.57) SIGMAR1MAOBHRH3XDHBCHE
SCHEMBL1795398 0.92 SIGMAR1 (0.53) SIGMAR1MAOBHRH3TSHR
SCHEMBL1792736 0.92 MAOB (0.53) SIGMAR1MAOBHRH3XDHBCHE

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 81/4885MAOB 139/4885HRH3 161/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 SIGMAR1 103/4885MAOB 99/4885HRH3 321/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 SIGMAR1 135/4885MAOB 133/4885HRH3 199/4885

“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.