SCHEMBL1795305

SCHEMBL1795305

CNCCOc1ccc2c(c1)-c1cc(OCCNC)ccc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
CHRNA7 P36544 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PDK2 Q15119 1/20 0.47
POLB P06746 2/20 0.47
DNMT1 P26358 1/20 0.46
RAD52 P43351 1/20 0.46

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
SCHEMBL1798019 0.97 MAPT (0.55) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL1795252 0.95 KDM4E (0.52) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL1795759 0.93 MAPT (0.58) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL1794751 0.92 MAPT (0.56) ALDH1A1KDM4EMAPTKMT2ACHRNA7
SCHEMBL1797156 0.88 MAPT (0.59) ALDH1A1KDM4EMAPTKMT2ACHRNA7
SCHEMBL1797579 0.83 MAPT (0.51) ALDH1A1MAPTKMT2ACHRNA7MEN1
SCHEMBL1796882 0.82 MAPT (0.52) ALDH1A1MAPTKMT2ACHRNA7MEN1
SCHEMBL1797456 0.82 MAPT (0.52) ALDH1A1MAPTKMT2ACHRNA7MEN1
SCHEMBL1792515 0.81 KMT2A (0.55) ALDH1A1MAPTKMT2ACHRNA7MEN1
SCHEMBL1795433 0.81 MAPT (0.56) ALDH1A1MAPTKMT2ACHRNA7MEN1

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 ALDH1A1 1267/4885KDM4E 2818/4885LMNA 322/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 ALDH1A1 1618/4885KDM4E 2402/4885LMNA 208/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 ALDH1A1 1103/4885KDM4E 2270/4885LMNA 712/4885

“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.