SCHEMBL1796115

SCHEMBL1796115

CCN(CC)CCCOc1ccc2[nH]c3ccc(OCCCN(CC)CC)cc3c2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
SIGMAR1 Q99720 2/20 0.54
MAOB P27338 3/20 0.51
PARP1 P09874 1/20 0.51
MAOA P21397 1/20 0.50
XDH P47989 2/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NSD2 O96028 1/20 0.47

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
SCHEMBL1797220 0.94 KDM4E (0.54) KDM4ESIGMAR1MAOBPARP1MAOA
SCHEMBL1795017 0.92 PARP1 (0.58) KDM4ESIGMAR1MAOBPARP1MAPT
SCHEMBL1797461 0.91 XDH (0.57) KDM4ESIGMAR1MAOBPARP1MAOA
SCHEMBL1794270 0.89 KDM4E (0.47) KDM4ESIGMAR1MAOBMAOAMEN1
SCHEMBL1796230 0.88 KDM4E (0.59) KDM4ESIGMAR1MAOBMAOAXDH
SCHEMBL1796359 0.87 PARP1 (0.54) KDM4ESIGMAR1MAOBPARP1MAOA
SCHEMBL1794170 0.87 XDH (0.56) KDM4ESIGMAR1MAOBPARP1MAOA
SCHEMBL1793207 0.84 MAOA (0.47) KDM4EMAOBMAOAMEN1ALDH1A1
SCHEMBL1792877 0.84 KDM4E (0.54) KDM4ESIGMAR1PARP1MAOAMEN1
SCHEMBL1793678 0.84 PARP1 (0.60) KDM4ESIGMAR1MAOBPARP1XDH

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 2818/4885SIGMAR1 81/4885MAOB 139/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 KDM4E 2402/4885SIGMAR1 103/4885MAOB 99/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 KDM4E 2270/4885SIGMAR1 135/4885MAOB 133/4885

“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.