SCHEMBL1797338

SCHEMBL1797338

CCN(CC)CCOc1ccc2c(=O)c3cc(OCCN(CC)CC)ccc3oc2c1

nearest known ligand 0.90

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.74
SIGMAR1 Q99720 4/20 0.60
BCHE P06276 7/20 0.60
ACHE P22303 5/20 0.60
TOP1 P11387 1/20 0.53
MAPT P10636 1/20 0.52
CHRNA7 P36544 1/20 0.52
KMT2A Q03164 1/20 0.52
ALK Q9UM73 2/20 0.52

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
SCHEMBL1798955 0.95 SIGMAR1 (0.66) XDHSIGMAR1BCHEACHEMAPT
SCHEMBL1797906 0.95 XDH (0.77) XDHSIGMAR1BCHEACHETOP1
SCHEMBL1794651 0.94 XDH (0.84) XDHSIGMAR1BCHEACHE
SCHEMBL1797392 0.91 XDH (0.62) XDHSIGMAR1BCHEACHE
SCHEMBL1798248 0.89 XDH (0.62) XDHSIGMAR1BCHEACHETOP1
Hydrochloric Acid SCHEMBL28438009 0.88 XDH (0.60) XDHSIGMAR1BCHEACHETOP1
SCHEMBL1794658 0.88 XDH (0.88) XDHSIGMAR1BCHEACHE
SCHEMBL1793009 0.88 XDH (0.75) XDHSIGMAR1BCHEACHEMAPT
SCHEMBL3602493 0.88 XDH (0.67) XDHSIGMAR1BCHEACHETOP1
SCHEMBL1793026 0.87 SIGMAR1 (0.61) XDHSIGMAR1BCHEACHE

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 81/4885BCHE 282/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 XDH 49/4885SIGMAR1 103/4885BCHE 175/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 XDH 242/4885SIGMAR1 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.