SCHEMBL1796141

SCHEMBL1796141

O=c1c2ccc(OCCN3CCC3)cc2[nH]c2cc(OCCN3CCC3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.58
LTA4H P09960 1/20 0.51
HRH3 Q9Y5N1 5/20 0.50
XDH P47989 3/20 0.50
SIGMAR1 Q99720 1/20 0.50
MAOB P27338 1/20 0.50
DRD2 P14416 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
SCHEMBL1796324 0.97 PARP1 (0.61) PARP1LTA4HHRH3XDHSIGMAR1
SCHEMBL1793478 0.96 PARP1 (0.64) PARP1LTA4HHRH3XDHSIGMAR1
SCHEMBL1794617 0.95 PARP1 (0.54) PARP1LTA4HHRH3SIGMAR1DRD2
SCHEMBL1794137 0.93 XDH (0.58) PARP1HRH3XDHSIGMAR1MAOB
SCHEMBL1799064 0.92 PARP1 (0.57) PARP1LTA4HHRH3SIGMAR1MAOB
SCHEMBL1793665 0.91 PARP1 (0.57) PARP1LTA4HHRH3MAOBDRD2
SCHEMBL1793608 0.91 PARP1 (0.59) PARP1LTA4HHRH3SIGMAR1MAOB
SCHEMBL1796693 0.90 XDH (0.61) PARP1HRH3XDHSIGMAR1MAOB
SCHEMBL13438410 0.90 ACHE (0.55) PARP1LTA4HHRH3SIGMAR1MAOB
SCHEMBL1798720 0.89 XDH (0.62) PARP1HRH3XDHSIGMAR1MAOB

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 PARP1 1668/4885LTA4H 1340/4885HRH3 161/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 PARP1 2033/4885LTA4H 1456/4885HRH3 321/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 PARP1 2735/4885LTA4H 1047/4885HRH3 199/4885

“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.