SCHEMBL1797483

SCHEMBL1797483

NCCOc1ccc2c(=O)c3ccc(OCCN)cc3oc2c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 10/20 0.54
▸ BCHE P06276 7/20 0.50
▸ ACHE P22303 4/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ RAB9A P51151 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
SCHEMBL15759330 0.94 ACSL1 (0.54) XDHBCHEACHENPC1MAOA
SCHEMBL12240977 0.93 ALDH1A1 (0.55) XDHBCHEACHENPC1MAOA
SCHEMBL1795724 0.92 XDH (0.56) XDHBCHEACHE
SCHEMBL1794001 0.90 TAAR1 (0.45) XDHBCHEACHERAB9A
SCHEMBL12240964 0.88 XDH (0.54) XDHBCHEACHENPC1MAOA
SCHEMBL1798063 0.87 NPC1 (0.57) BCHEACHENPC1MAOARAB9A
SCHEMBL11049325 0.83 ALDH2 (0.60) XDHBCHEACHEMAOA
SCHEMBL1793141 0.83 SIGMAR1 (0.47) XDHBCHEACHENPC1
SCHEMBL8961840 0.83 XDH (0.65) XDHBCHEACHE
SCHEMBL2550117 0.83 ACSL1 (0.67) XDHBCHEACHENPC1MAOA

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 15 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-8741659-B2 Composition for measuring the binding affinity between nucleic acid and test substance, and use thereof OSAKA UNIVERSITY (JP) 2014-06-03 — — US disclosed
US-20120238029-A1 COMPOSITION FOR MEASURING THE BINDING AFFINITY BETWEEN NUCLEIC ACID AND TEST SUBSTANCE, AND USE THEREOF OSAKA UNIVERSITY (JP) 2012-09-20 — — US disclosed
EP-2482076-A1 Composition for measuring the binding affinity between nucleic acid and test substance, and use thereof Osaka University (JP) 2012-08-01 — — EP disclosed
US-20110263041-A1 COMPOSITION FOR MEASURING THE BINDING AFFINITY BETWEEN NUCLEIC ACID AND TEST SUBSTANCE, AND USE THEREOF OSAKA UNIVERSITY (JP) 2011-10-27 — — US disclosed
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
EP-2175275-A1 COMPOSITION FOR MEASURING THE BINDING AFFINITY BETWEEN NUCLEIC ACID AND SUBSTANCE, AND USE THEREOF Osaka University (JP) 2010-04-14 — — 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 (4 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 XDH 49/4885BCHE 282/4885ACHE 89/4885
US-20110263041-A1 COMPOSITION FOR MEASURING THE BINDING AFFINITY BETWEEN NUCLEIC ACID AND TEST SUBSTANCE, AND USE THEREOF RBM3, HNRNPA3, HNRNPAB XDH 3309/4885BCHE 3922/4885ACHE 2074/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 XDH 49/4885BCHE 175/4885ACHE 43/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 XDH 242/4885BCHE 197/4885ACHE 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.

Send feedback