SCHEMBL1795670

SCHEMBL1795670

Cn1c2cc(OCCN3CCC3)ccc2c2ccc(OCCN3CCC3)cc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
LTA4H P09960 6/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 1/20 0.51
PSMB1 P20618 4/20 0.50
PSMB5 P28074 4/20 0.50
PSMB2 P49721 3/20 0.50
HRH3 Q9Y5N1 2/20 0.49

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
SCHEMBL1793156 0.97 KDM4E (0.56) KDM4ELTA4HALDH1A1SMN1; SMN2MAOB
SCHEMBL1794069 0.95 PSMB1 (0.56) KDM4ELTA4HALDH1A1SMN1; SMN2MAOB
SCHEMBL1798398 0.94 KDM4E (0.50) KDM4ELTA4HALDH1A1SMN1; SMN2MAOB
SCHEMBL1799894 0.92 HRH3 (0.54) KDM4EMAOBHRH3
SCHEMBL1792736 0.91 MAOB (0.53) MAOBHRH3
SCHEMBL1795770 0.91 KDM4E (0.54) KDM4ELTA4HALDH1A1SMN1; SMN2MAOB
SCHEMBL1794161 0.90 KDM4E (0.52) KDM4EMAOBPSMB1PSMB5PSMB2
SCHEMBL1796297 0.89 HRH3 (0.58) KDM4EMAOBHRH3
SCHEMBL1796429 0.88 MAOB (0.56) KDM4EMAOBHRH3
SCHEMBL1797534 0.88 HRH3 (0.60) KDM4EMAOBHRH3

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 2818/4885LTA4H 1340/4885ALDH1A1 1267/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 KDM4E 2402/4885LTA4H 1456/4885ALDH1A1 1618/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 KDM4E 2270/4885LTA4H 1047/4885ALDH1A1 1103/4885

“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.