SCHEMBL1797351

SCHEMBL1797351

c1cc2c(cc1OCCN1CCCCC1)[nH]c1cc(OCCN3CCCCC3)ccc12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.62
LTA4H P09960 2/20 0.58
HRH3 Q9Y5N1 6/20 0.57
PSMB1 P20618 3/20 0.56
PSMB5 P28074 3/20 0.56
PSMB2 P49721 2/20 0.56
MAOA P21397 1/20 0.54
PTGS2 P35354 1/20 0.54
BACE1 P56817 1/20 0.54
MAOB P27338 1/20 0.53

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
Hydrochloric Acid SCHEMBL28443855 0.98 PARP1 (0.61) PARP1LTA4HHRH3PSMB1PSMB5
SCHEMBL1796927 0.98 PARP1 (0.60) PARP1LTA4HHRH3PSMB1PSMB5
Hydrochloric Acid SCHEMBL28443606 0.97 PARP1 (0.59) PARP1LTA4HHRH3PSMB1PSMB5
SCHEMBL1793665 0.95 PARP1 (0.57) PARP1LTA4HHRH3PSMB1PSMB5
SCHEMBL1796479 0.94 PARP1 (0.57) PARP1LTA4HHRH3PSMB1PSMB5
SCHEMBL1798472 0.93 LTA4H (0.58) PARP1LTA4HHRH3PSMB1PSMB5
SCHEMBL1797290 0.93 HRH3 (0.60) HRH3
SCHEMBL1793478 0.92 PARP1 (0.64) PARP1LTA4HHRH3MAOB
SCHEMBL1792471 0.91 HRH3 (0.58) HRH3
SCHEMBL1795637 0.90 LTA4H (0.54) PARP1LTA4HHRH3MAOAPTGS2

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.