SCHEMBL1796608

SCHEMBL1796608

CNCCCOc1ccc2c3ccc(OCCCNC)cc3n(C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.50
HASPIN Q8TF76 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 5/20 0.45
POLB P06746 2/20 0.45
HTR1D P28221 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NSD2 O96028 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
PDK2 Q15119 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39

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
SCHEMBL1798075 0.95 HTR1B (0.49) HTR1BHASPINL3MBTL1KDM4EPOLB
SCHEMBL1794472 0.94 HTR1B (0.45) HTR1BHASPINL3MBTL1KDM4EPOLB
SCHEMBL1795463 0.91 HTR1B (0.45) HTR1BHASPINL3MBTL1KDM4EPOLB
SCHEMBL1796853 0.89 KDM4E (0.45) HTR1BHASPINL3MBTL1KDM4EPOLB
SCHEMBL1796989 0.87 AAK1 (0.43) HTR1BHASPINL3MBTL1KDM4EPOLB
SCHEMBL1796982 0.87 HTR1B (0.50) HTR1BHASPINL3MBTL1KDM4EPOLB
SCHEMBL1795684 0.86 L3MBTL1 (0.41) HTR1BHASPINL3MBTL1KDM4EPOLB
SCHEMBL1795488 0.86 KDM4E (0.46) HTR1BL3MBTL1KDM4EPOLBHTR1D
SCHEMBL1796060 0.84 SLC6A4 (0.45) HTR1BPOLBKMT2ASLC6A4PSEN1
SCHEMBL1795534 0.83 KMT2A (0.47) HTR1BPOLBHTR1DKMT2APSEN1

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 HTR1B 34/4885HASPIN 3175/4885L3MBTL1 2176/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HTR1B 42/4885HASPIN 3784/4885L3MBTL1 1967/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 HTR1B 39/4885HASPIN 4079/4885L3MBTL1 2106/4885

“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.