SCHEMBL1794127

SCHEMBL1794127

O=c1c2ccccc2oc2ccc(OC3CN4CCC3CC4)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 2/20 0.56
ACSL3 O95573 1/20 0.56
ACSL6 Q9UKU0 1/20 0.56
MAOA P21397 1/20 0.53
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CHRNA7 P36544 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAOB P27338 4/20 0.49
HRH3 Q9Y5N1 4/20 0.49

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
SCHEMBL1794239 1.00 ACSL1 (0.56) ACSL1ACSL3ACSL6MAOANPC1
SCHEMBL1794125 1.00 ACSL1 (0.56) ACSL1ACSL3ACSL6MAOANPC1
Trifluoroacetic Acid SCHEMBL1796405 0.91 ACSL1 (0.55) ACSL1ACSL3ACSL6MAOANPC1
Trifluoroacetic Acid SCHEMBL1794473 0.91 ACSL1 (0.55) ACSL1ACSL3ACSL6MAOANPC1
SCHEMBL905368 0.90 LSS (0.44) ACSL1ACSL3ACSL6NPC1CHRNA7
Fumaric Acid SCHEMBL905389 0.83 ACSL1 (0.46) ACSL1ACSL3ACSL6CHRNA7
SCHEMBL8714467 0.81 CHRNA7 (0.48) MAOACHRNA7KCNH2MAOBHRH3
Hydrochloric Acid SCHEMBL8718227 0.80 CHRNA7 (0.47) MAOACHRNA7KCNH2MAOBHRH3
Hydrochloric Acid SCHEMBL8711956 0.80 CHRNA7 (0.47) MAOACHRNA7KCNH2MAOBHRH3
Hydrochloric Acid SCHEMBL8711598 0.80 CHRNA7 (0.47) MAOACHRNA7KCNH2MAOBHRH3

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 12 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
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP claimed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US claimed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO 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
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP disclosed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US disclosed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO 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 (2 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 ACSL1 3873/4885ACSL3 4036/4885ACSL6 4006/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 ACSL1 3594/4885ACSL3 3958/4885ACSL6 3814/4885

“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.