SCHEMBL1795115

SCHEMBL1795115

CCCN(CCC)CCCOc1ccc2c3ccc(OCCCN(CCC)CCC)cc3n(C)c2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ATP4A P20648 2/20 0.42
ATP4B P51164 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
XDH P47989 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL1795720 0.95 POLB (0.43) POLBGAAKDM4EMAOAMAOB
SCHEMBL1793248 0.93 POLB (0.53) POLBGAABCHEACHE
SCHEMBL1794920 0.92 XDH (0.49) POLBGAAKDM4EXDHBCHE
SCHEMBL1795153 0.90 KDM4E (0.57) POLBGAAKDM4EMAOAMAOB
SCHEMBL1796222 0.88 POLB (0.43) POLBGAAKDM4EXDHACHE
SCHEMBL1799472 0.88 KDM4E (0.46) KDM4EMAOAMAOBATP4AATP4B
SCHEMBL1797007 0.87 POLB (0.49) POLBGAAKDM4EBCHEACHE
SCHEMBL1795738 0.87 XDH (0.46) POLBGAAXDHACHE
SCHEMBL1795830 0.85 POLB (0.52) POLBGAAXDHBCHEACHE
SCHEMBL1796168 0.85 KDM4E (0.52) POLBGAAKDM4EMAOAMAOB

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 POLB 3276/4885GAA 944/4885KDM4E 2818/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 POLB 3154/4885GAA 1377/4885KDM4E 2402/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 POLB 3198/4885GAA 1399/4885KDM4E 2270/4885

“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.