SCHEMBL1794403

SCHEMBL1794403

O=c1c2ccc(OCCCN3CCC3)cc2[nH]c2ccc(OCCCN3CCC3)cc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.54
PARP1 P09874 4/20 0.52
SIGMAR1 Q99720 3/20 0.50
DRD2 P14416 1/20 0.49
MAOB P27338 6/20 0.49
ACHE P22303 3/20 0.49
BCHE P06276 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HRH3 Q9Y5N1 5/20 0.48
TERT O14746 1/20 0.48
HTR3A P46098 1/20 0.48

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
SCHEMBL1796395 0.98 XDH (0.57) XDHPARP1SIGMAR1MAOBACHE
SCHEMBL1793579 0.96 XDH (0.57) XDHPARP1SIGMAR1MAOBACHE
SCHEMBL1796139 0.95 PARP1 (0.55) XDHPARP1SIGMAR1MAOBACHE
SCHEMBL1794137 0.95 XDH (0.58) XDHPARP1SIGMAR1DRD2MAOB
SCHEMBL1794617 0.94 PARP1 (0.54) PARP1SIGMAR1DRD2KDM4EPOLB
SCHEMBL1796693 0.92 XDH (0.61) XDHPARP1SIGMAR1MAOBACHE
SCHEMBL1796078 0.92 PARP1 (0.58) XDHPARP1SIGMAR1MAOBACHE
SCHEMBL1799064 0.91 PARP1 (0.57) PARP1SIGMAR1MAOBKDM4EPOLB
SCHEMBL1798720 0.91 XDH (0.62) XDHPARP1SIGMAR1MAOBACHE
SCHEMBL1794242 0.91 PARP1 (0.60) XDHPARP1SIGMAR1MAOBACHE

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

“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.