SCHEMBL1795252

SCHEMBL1795252

CNCCCOc1ccc2c(c1)-c1cc(OCCCNC)ccc1C2=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
POLB P06746 2/20 0.52
HTR1B P28222 2/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
NSD2 O96028 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRNA7 P36544 1/20 0.49
PDK2 Q15119 1/20 0.48
DNMT1 P26358 1/20 0.48
RAD52 P43351 1/20 0.48
LMNA P02545 1/20 0.47
HTR1D P28221 1/20 0.44

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
SCHEMBL1794751 0.97 MAPT (0.56) KDM4EPOLBHTR1BALDH1A1MAPT
SCHEMBL1795305 0.95 ALDH1A1 (0.51) KDM4EPOLBHTR1BALDH1A1MAPT
SCHEMBL1797156 0.93 MAPT (0.59) KDM4EPOLBHTR1BALDH1A1MAPT
SCHEMBL1798019 0.92 MAPT (0.55) KDM4EPOLBHTR1BALDH1A1MAPT
SCHEMBL1795759 0.88 MAPT (0.58) KDM4EPOLBHTR1BALDH1A1MAPT
SCHEMBL1796882 0.84 MAPT (0.52) POLBALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL1792515 0.83 KMT2A (0.55) POLBALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL1797579 0.82 MAPT (0.51) POLBALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL1797929 0.81 MAPT (0.57) POLBALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL1797440 0.81 KDM4E (0.54) KDM4EPOLBHTR1BALDH1A1MAPT

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 2818/4885POLB 3276/4885HTR1B 34/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 KDM4E 2402/4885POLB 3154/4885HTR1B 42/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 KDM4E 2270/4885POLB 3198/4885HTR1B 39/4885

“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.