SCHEMBL1796989

SCHEMBL1796989

CNCCCOc1ccc2c(c1)c(=O)n(C)c1cc(OCCCNC)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HTR1B P28222 2/20 0.42
KDM4E B2RXH2 5/20 0.41
POLB P06746 1/20 0.41
HASPIN Q8TF76 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NSD2 O96028 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
AVPR1B P47901 1/20 0.39
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36

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
SCHEMBL1800178 0.96 AAK1 (0.44) AAK1L3MBTL1HTR1BKDM4EPOLB
SCHEMBL1796608 0.87 HTR1B (0.50) L3MBTL1HTR1BKDM4EPOLBHASPIN
SCHEMBL1797454 0.87 AAK1 (0.42) AAK1KDM4EPOLBALDH1A1MAOB
SCHEMBL1794166 0.86 DRD2 (0.41) AAK1HTR1BPOLBKMT2APSEN1
SCHEMBL1794238 0.86 AAK1 (0.43) AAK1HTR1BKDM4EPOLBALDH1A1
SCHEMBL1795463 0.85 HTR1B (0.45) L3MBTL1HTR1BKDM4EPOLBHASPIN
SCHEMBL1794472 0.85 HTR1B (0.45) L3MBTL1HTR1BKDM4EPOLBHASPIN
SCHEMBL1794022 0.85 AAK1 (0.42) AAK1HTR1BPOLBALDH1A1KMT2A
SCHEMBL1794140 0.84 AAK1 (0.48) AAK1POLBHASPINMAOB
SCHEMBL1795684 0.83 L3MBTL1 (0.41) L3MBTL1HTR1BKDM4EPOLBHASPIN

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 AAK1 3522/4885L3MBTL1 2176/4885HTR1B 34/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 AAK1 3805/4885L3MBTL1 1967/4885HTR1B 42/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 AAK1 3649/4885L3MBTL1 2106/4885HTR1B 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.