SCHEMBL1799472

SCHEMBL1799472

CCCN(CCC)CCCOc1ccc2c(c1)c1cc(OCCCN(CCC)CCC)ccc1n2C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SIGMAR1 Q99720 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
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
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) KDM4EHPGDMAOAMAOBSIGMAR1
SCHEMBL1796950 0.93 HPGD (0.48) KDM4EHPGDSIGMAR1MEN1ALDH1A1
SCHEMBL1793671 0.92 XDH (0.46) KDM4EHPGDSIGMAR1L3MBTL1ACHE
SCHEMBL1795834 0.90 KDM4E (0.57) KDM4EMAOBSIGMAR1ACHE
SCHEMBL1795115 0.88 POLB (0.46) KDM4EMAOAMAOBATP4AATP4B
SCHEMBL1797007 0.87 POLB (0.49) KDM4EHPGDSIGMAR1MEN1ALDH1A1
SCHEMBL1795738 0.87 XDH (0.46) HPGDSIGMAR1L3MBTL1ACHE
SCHEMBL1796168 0.85 KDM4E (0.52) KDM4EMAOAMAOBSIGMAR1ALDH1A1
SCHEMBL1797875 0.85 HPGD (0.47) HPGDSIGMAR1ALDH1A1MAPTKMT2A
SCHEMBL1794920 0.83 XDH (0.49) KDM4ESIGMAR1L3MBTL1BCHEACHE

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 KDM4E 2818/4885HPGD 2230/4885MAOA 212/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 KDM4E 2402/4885HPGD 2086/4885MAOA 132/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 KDM4E 2270/4885HPGD 2140/4885MAOA 176/4885

“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.