SCHEMBL1793136

SCHEMBL1793136

CCCN(CCC)CCCOc1ccc2c(c1)[nH]c1cc(OCCCN(CCC)CCC)ccc12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.51
KDM4E B2RXH2 1/20 0.47
DRD3 P35462 1/20 0.46
MAOB P27338 1/20 0.44
PARP1 P09874 1/20 0.43
ATP4A P20648 1/20 0.43
ATP4B P51164 1/20 0.43
XDH P47989 1/20 0.42
DYRK1A Q13627 1/20 0.42

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
SCHEMBL1793207 0.94 MAOA (0.47) MAOAKDM4EDRD3MAOB
SCHEMBL1798443 0.92 MAOA (0.50) MAOADRD3PARP1DYRK1A
SCHEMBL1796653 0.92 DRD3 (0.54) MAOADRD3MAOBPARP1XDH
Hydrochloric Acid SCHEMBL31070033 0.91 MAOA (0.49) MAOADRD3PARP1DYRK1A
SCHEMBL1796230 0.89 KDM4E (0.59) MAOAKDM4EMAOBXDH
SCHEMBL1794673 0.88 PARP1 (0.47) MAOADRD3PARP1XDH
SCHEMBL1794270 0.88 KDM4E (0.47) MAOAKDM4EMAOB
SCHEMBL1796400 0.87 MAOA (0.46) MAOAKDM4EPARP1DYRK1A
SCHEMBL1791923 0.87 DRD3 (0.50) KDM4EDRD3PARP1XDH
SCHEMBL1797220 0.84 KDM4E (0.54) MAOAKDM4EMAOBPARP1XDH

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 MAOA 212/4885KDM4E 2818/4885DRD3 793/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 MAOA 132/4885KDM4E 2402/4885DRD3 859/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 MAOA 176/4885KDM4E 2270/4885DRD3 729/4885

“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.