SCHEMBL1794530

SCHEMBL1794530

CCCN(CCC)CCOc1ccc2c(=O)c3cc(OCCN(CCC)CCC)ccc3[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
CTSV O60911 3/20 0.47
CTSL P07711 3/20 0.47
PARP1 P09874 3/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
DRD3 P35462 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
TERT O14746 1/20 0.43
MAPT P10636 1/20 0.42
CHRNA7 P36544 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALK Q9UM73 1/20 0.41
TSHR P16473 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
SCHEMBL1797234 0.95 DRD3 (0.49) CTSVCTSLPARP1DRD3KMT2A
SCHEMBL1792996 0.95 HSD17B10 (0.51) KDM4EALDH1A1HSD17B10HPGDCTSV
SCHEMBL1791923 0.94 DRD3 (0.50) KDM4EALDH1A1HSD17B10HPGDCTSV
SCHEMBL1796162 0.91 PARP1 (0.55) KDM4EALDH1A1HSD17B10HPGDCTSV
SCHEMBL1796400 0.90 MAOA (0.46) KDM4EALDH1A1HSD17B10HPGDPARP1
SCHEMBL1797107 0.88 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDCTSV
SCHEMBL1796653 0.88 DRD3 (0.54) CTSVCTSLPARP1DRD3SIGMAR1
SCHEMBL1797716 0.87 PARP1 (0.48) KDM4EALDH1A1HSD17B10HPGDPARP1
SCHEMBL1798443 0.87 MAOA (0.50) PARP1DRD3KMT2AMAPTCHRNA7
SCHEMBL1800692 0.86 MAOA (0.54) KDM4EALDH1A1HSD17B10HPGDCTSV

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 2818/4885ALDH1A1 1267/4885HSD17B10 2037/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 KDM4E 2402/4885ALDH1A1 1618/4885HSD17B10 2257/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 KDM4E 2270/4885ALDH1A1 1103/4885HSD17B10 2141/4885

“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.