SCHEMBL1793207

SCHEMBL1793207

CCCN(CCC)CCCOc1ccc2c(c1)[nH]c1ccc(OCCCN(CCC)CCC)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 3/20 0.43
HTR1D P28221 2/20 0.42
HTR1A P08908 1/20 0.42
HTR1B P28222 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 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
SCHEMBL1793136 0.94 MAOA (0.51) MAOADRD3KDM4EMAOB
SCHEMBL1794270 0.94 KDM4E (0.47) MAOAKDM4EHTR1DHTR1AHTR1B
SCHEMBL1796400 0.93 MAOA (0.46) MAOAKDM4EHTR1DHTR1AHTR1B
SCHEMBL1797220 0.90 KDM4E (0.54) MAOAKDM4EMAOB
SCHEMBL1791923 0.90 DRD3 (0.50) DRD3KDM4EALDH1A1HSD17B10MEN1
SCHEMBL1797716 0.87 PARP1 (0.48) KDM4EHTR1DHTR1AHTR1BALDH1A1
SCHEMBL1798443 0.87 MAOA (0.50) MAOADRD3MAPTKMT2A
SCHEMBL1797107 0.86 KDM4E (0.52) KDM4EALDH1A1HSD17B10MEN1TSHR
SCHEMBL1796653 0.86 DRD3 (0.54) MAOADRD3MAOB
Hydrochloric Acid SCHEMBL31070033 0.86 MAOA (0.49) MAOADRD3MAPTKMT2A

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