SCHEMBL1797386

SCHEMBL1797386

CNCCOc1ccc2c(c1)CC(=O)c1cc(OCCNC)ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
PDK2 Q15119 1/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
CHRNA7 P36544 1/20 0.43
ESR1 P03372 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
BRD4 O60885 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL1797440 0.96 KDM4E (0.54) KDM4EPOLBALDH1A1PDK2KMT2A
SCHEMBL1797211 0.87 KDM4E (0.54) KDM4EPOLBALDH1A1LMNAPDK2
SCHEMBL1793791 0.86 KMT2A (0.44) KDM4EPOLBALDH1A1KMT2AMAPT
SCHEMBL1796462 0.85 KDM4E (0.50) KDM4EPOLBALDH1A1LMNAPDK2
SCHEMBL1795657 0.85 KMT2A (0.45) KDM4EPOLBALDH1A1KMT2AMAPT
SCHEMBL1794971 0.85 KMT2A (0.45) KDM4EPOLBALDH1A1KMT2AMAPT
SCHEMBL1797341 0.84 KMT2A (0.47) KDM4EPOLBALDH1A1KMT2AMAPT
SCHEMBL1795759 0.84 MAPT (0.58) KDM4EPOLBALDH1A1LMNAPDK2
SCHEMBL1798713 0.82 KDM4E (0.59) KDM4EPOLBALDH1A1LMNAPDK2
SCHEMBL1798330 0.82 KMT2A (0.49) POLBALDH1A1KMT2AMAPTCHRNA7

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 12 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
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP disclosed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US disclosed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO 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 3276/4885ALDH1A1 1267/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 KDM4E 2402/4885POLB 3154/4885ALDH1A1 1618/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 KDM4E 2270/4885POLB 3198/4885ALDH1A1 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.