SCHEMBL1795488

SCHEMBL1795488

CNCCOc1ccc2c(=O)c3ccc(OCCNC)cc3n(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HTR1B P28222 2/20 0.44
HTR1D P28221 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 1/20 0.40
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
NSD2 O96028 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL1795463 0.96 HTR1B (0.45) KDM4EALDH1A1LMNAHTR1BHTR1D
SCHEMBL1792684 0.95 LMNA (0.42) KDM4EALDH1A1LMNAHTR1BHTR1D
SCHEMBL1798075 0.91 HTR1B (0.49) KDM4EALDH1A1LMNAHTR1BHTR1D
SCHEMBL1795684 0.91 L3MBTL1 (0.41) KDM4EALDH1A1LMNAHTR1BL3MBTL1
SCHEMBL1797158 0.88 KDM4E (0.46) KDM4EALDH1A1LMNAHTR1BHTR1D
SCHEMBL1796608 0.86 HTR1B (0.50) KDM4EALDH1A1LMNAHTR1BHTR1D
SCHEMBL1796562 0.86 L3MBTL1 (0.42) HTR1BL3MBTL1ATMPOLBGAA
SCHEMBL1796853 0.85 KDM4E (0.45) KDM4EALDH1A1LMNAHTR1BHTR1D
SCHEMBL1800178 0.85 AAK1 (0.44) KDM4EALDH1A1LMNAHTR1BHTR1D
SCHEMBL1796708 0.85 SLC6A4 (0.42) L3MBTL1ATMPOLBGAAMAOB

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