SCHEMBL1798472

SCHEMBL1798472

c1cc2c(cc1OCCN1CCCC1)[nH]c1ccc(OCCN3CCCC3)cc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.58
PARP1 P09874 5/20 0.56
MAOA P21397 1/20 0.51
SIGMAR1 Q99720 3/20 0.50
HRH3 Q9Y5N1 1/20 0.50
PTGS2 P35354 1/20 0.50
PDGFRB P09619 2/20 0.49
PDGFRA P16234 1/20 0.49
HTR1A P08908 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49
FLT3 P36888 2/20 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
SCHEMBL1796479 0.99 PARP1 (0.57) LTA4HPARP1MAOASIGMAR1HRH3
SCHEMBL1795637 0.97 LTA4H (0.54) LTA4HPARP1MAOASIGMAR1HRH3
SCHEMBL1797242 0.94 LTA4H (0.63) LTA4HPARP1SIGMAR1HRH3PDGFRB
SCHEMBL1796927 0.94 PARP1 (0.60) LTA4HPARP1MAOAHRH3PTGS2
SCHEMBL1795110 0.93 PARP1 (0.53) LTA4HPARP1SIGMAR1HRH3
SCHEMBL1793571 0.93 PARP1 (0.62) LTA4HPARP1SIGMAR1HRH3PDGFRB
SCHEMBL1797351 0.93 PARP1 (0.62) LTA4HPARP1MAOAHRH3PTGS2
Hydrochloric Acid SCHEMBL28443606 0.93 PARP1 (0.59) LTA4HPARP1MAOASIGMAR1HRH3
SCHEMBL1798739 0.92 HRH3 (0.55) PARP1SIGMAR1HRH3
Hydrochloric Acid SCHEMBL28443855 0.92 PARP1 (0.61) LTA4HPARP1MAOAHRH3PTGS2

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 LTA4H 1340/4885PARP1 1668/4885MAOA 212/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 LTA4H 1456/4885PARP1 2033/4885MAOA 132/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 LTA4H 1047/4885PARP1 2735/4885MAOA 176/4885

“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.