SCHEMBL1793009

SCHEMBL1793009

CCN(CC)CCCOc1ccc2oc3ccc(OCCCN(CC)CC)cc3c(=O)c2c1

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.75
SIGMAR1 Q99720 4/20 0.67
KDM4E B2RXH2 2/20 0.54
ACHE P22303 3/20 0.53
BCHE P06276 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
ACSL1 P33121 2/20 0.52
ACSL6 Q9UKU0 2/20 0.52
MAOB P27338 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
SCHEMBL1794651 0.95 XDH (0.84) XDHSIGMAR1ACHEBCHE
SCHEMBL1798955 0.93 SIGMAR1 (0.66) XDHSIGMAR1KDM4EACHEBCHE
SCHEMBL1796326 0.91 XDH (0.66) XDHSIGMAR1KDM4EMAOB
SCHEMBL1792937 0.90 XDH (0.62) XDHSIGMAR1KDM4EACHEBCHE
SCHEMBL1794658 0.89 XDH (0.88) XDHSIGMAR1ACHEBCHEMAOB
SCHEMBL1797338 0.88 XDH (0.74) XDHSIGMAR1ACHEBCHEMAPT
SCHEMBL1798899 0.86 XDH (0.71) XDHSIGMAR1KDM4EACHEBCHE
SCHEMBL1794360 0.86 XDH (0.71) XDHSIGMAR1ACHEBCHE
SCHEMBL1797880 0.86 SIGMAR1 (0.64) XDHSIGMAR1KDM4EACHEBCHE
SCHEMBL7228382 0.85 XDH (0.81) XDHSIGMAR1ACHEBCHE

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 81/4885KDM4E 2818/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 XDH 49/4885SIGMAR1 103/4885KDM4E 2402/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 XDH 242/4885SIGMAR1 135/4885KDM4E 2270/4885

“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.