SCHEMBL1797653

SCHEMBL1797653

O=c1[nH]c2cc(OCCCN3CCC3)ccc2c2ccc(OCCCN3CCC3)cc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.54
SIGMAR1 Q99720 4/20 0.51
ACHE P22303 3/20 0.50
MAOB P27338 3/20 0.50
BCHE P06276 1/20 0.50
XDH P47989 4/20 0.49
HRH3 Q9Y5N1 3/20 0.48
DRD2 P14416 2/20 0.48
MAOA P21397 1/20 0.47

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
SCHEMBL1797758 0.97 PARP1 (0.57) PARP1SIGMAR1ACHEMAOBBCHE
SCHEMBL1795229 0.96 PARP1 (0.59) PARP1SIGMAR1ACHEMAOBBCHE
SCHEMBL1797904 0.94 PARP1 (0.61) PARP1SIGMAR1MAOBHRH3DRD2
SCHEMBL11564228 0.93 PARP1 (0.61) PARP1SIGMAR1ACHEMAOBBCHE
Hydrochloric Acid SCHEMBL11564608 0.92 PARP1 (0.60) PARP1SIGMAR1ACHEMAOBBCHE
SCHEMBL1794801 0.91 PARP1 (0.64) PARP1SIGMAR1MAOBHRH3MAOA
SCHEMBL1795884 0.90 PARP1 (0.66) PARP1SIGMAR1MAOBHRH3
Hydrochloric Acid SCHEMBL11565822 0.89 PARP1 (0.65) PARP1SIGMAR1MAOBHRH3
SCHEMBL1798113 0.88 HRH3 (0.54) PARP1ACHEXDHHRH3
SCHEMBL1795308 0.86 PARP1 (0.50) PARP1SIGMAR1ACHEMAOBBCHE

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 1668/4885SIGMAR1 81/4885ACHE 89/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 PARP1 2033/4885SIGMAR1 103/4885ACHE 43/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 PARP1 2735/4885SIGMAR1 135/4885ACHE 50/4885

“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.