SCHEMBL1799894

SCHEMBL1799894

Cn1c2cc(OCCCN3CCC3)ccc2c2ccc(OCCCN3CCC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.54
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAOB P27338 2/20 0.51
KCNH2 Q12809 1/20 0.50
DRD3 P35462 1/20 0.50
XDH P47989 1/20 0.50
ACHE P22303 1/20 0.50
RAD52 P43351 1/20 0.50

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
SCHEMBL1796297 0.97 HRH3 (0.58) HRH3KDM4EL3MBTL1MEN1KMT2A
SCHEMBL1797534 0.95 HRH3 (0.60) HRH3KDM4EL3MBTL1MAOBKCNH2
SCHEMBL1795605 0.94 HRH3 (0.50) HRH3KDM4EL3MBTL1MEN1KMT2A
SCHEMBL1795670 0.92 KDM4E (0.52) HRH3KDM4EMAOB
SCHEMBL1794596 0.92 XDH (0.58) HRH3MAOBXDHACHE
SCHEMBL1797098 0.92 HRH3 (0.53) HRH3KDM4EL3MBTL1MEN1KMT2A
SCHEMBL1793915 0.90 HRH3 (0.56) HRH3KDM4EL3MBTL1MAOBKCNH2
SCHEMBL1793156 0.89 KDM4E (0.56) HRH3KDM4EMAOB
SCHEMBL1793526 0.89 XDH (0.61) HRH3KDM4EL3MBTL1MAOBXDH
SCHEMBL1797601 0.88 SIGMAR1 (0.51) HRH3MAOBKCNH2XDHACHE

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 HRH3 161/4885KDM4E 2818/4885L3MBTL1 2176/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HRH3 321/4885KDM4E 2402/4885L3MBTL1 1967/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 HRH3 199/4885KDM4E 2270/4885L3MBTL1 2106/4885

“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.