SCHEMBL1794116

SCHEMBL1794116

CNCCOc1ccc2c(c1)C(O)c1cc(OCCNC)ccc1-2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.54
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
HTR1B P28222 2/20 0.47
HTR1D P28221 1/20 0.47
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
POLB P06746 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ESR1 P03372 1/20 0.40
NSD2 O96028 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 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
SCHEMBL1799261 0.95 PDK2 (0.55) PDK2KDM4EALDH1A1LMNAHRH3
SCHEMBL1795526 0.94 PDK2 (0.50) PDK2KDM4EALDH1A1LMNAHRH3
SCHEMBL1795679 0.90 PDK2 (0.51) PDK2KDM4EALDH1A1LMNAHRH3
SCHEMBL1793976 0.87 KDM4E (0.49) PDK2KDM4EALDH1A1LMNAHTR1B
SCHEMBL1792668 0.84 HRH3 (0.46) PDK2HRH3HTR1BSMN1; SMN2
SCHEMBL1793938 0.83 HRH3 (0.45) PDK2HRH3KMT2A
SCHEMBL1794791 0.83 HRH3 (0.45) PDK2HRH3HTR1BSMN1; SMN2MEN1
SCHEMBL1795377 0.83 PDK2 (0.49) PDK2KDM4EALDH1A1LMNAHTR1B
SCHEMBL1796345 0.82 KMT2A (0.46) PDK2ALDH1A1HRH3MEN1KMT2A
SCHEMBL1793696 0.80 HRH3 (0.45) PDK2ALDH1A1HRH3HTR1BPOLB

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 PDK2 1686/4885KDM4E 2818/4885ALDH1A1 1267/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 PDK2 1692/4885KDM4E 2402/4885ALDH1A1 1618/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 PDK2 1609/4885KDM4E 2270/4885ALDH1A1 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.