SCHEMBL1794653

SCHEMBL1794653

CCN(CC)CCCOc1ccc2c(c1)[nH]c(=O)c1cc(OCCCN(CC)CC)ccc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
XDH P47989 2/20 0.51
PARP1 P09874 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAOB P27338 4/20 0.49
MAOA P21397 4/20 0.49
MAPT P10636 1/20 0.46
CHRNA7 P36544 1/20 0.46
KMT2A Q03164 1/20 0.46
ACHE P22303 1/20 0.45

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
SCHEMBL1796707 0.94 PARP1 (0.56) SIGMAR1PARP1MAOBMAPTCHRNA7
Hydrochloric Acid SCHEMBL11565118 0.92 PARP1 (0.55) SIGMAR1PARP1MAPTCHRNA7KMT2A
SCHEMBL1794673 0.91 PARP1 (0.47) SIGMAR1XDHPARP1MAOAMAPT
SCHEMBL1796230 0.88 KDM4E (0.59) SIGMAR1XDHKDM4EMAOBMAOA
SCHEMBL1795409 0.87 PARP1 (0.61) SIGMAR1PARP1KDM4EMAOA
SCHEMBL11769590 0.86 PARP1 (0.52) SIGMAR1XDHPARP1KDM4EMAPT
Hydrochloric Acid SCHEMBL11625804 0.86 PARP1 (0.60) SIGMAR1PARP1KDM4EMAOA
SCHEMBL1793064 0.85 XDH (0.60) SIGMAR1XDHKDM4EMAOBMAOA
SCHEMBL1797220 0.85 KDM4E (0.54) SIGMAR1XDHPARP1KDM4EMAOB
SCHEMBL11771786 0.85 PARP1 (0.56) SIGMAR1XDHPARP1KDM4EMAPT

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 81/4885XDH 49/4885PARP1 1668/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 SIGMAR1 103/4885XDH 49/4885PARP1 2033/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 SIGMAR1 135/4885XDH 242/4885PARP1 2735/4885

“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.