SCHEMBL1798618

SCHEMBL1798618

CNCCCOc1ccc2c(=O)c3ccc(OCCCNC)cc3sc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 6/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.43
NSD2 O96028 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1D P28221 1/20 0.40
XDH P47989 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDK2 Q15119 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL1794033 0.95 KDM4E (0.47) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1793651 0.95 KDM4E (0.48) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1798037 0.91 HTR1B (0.51) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1799595 0.90 KDM4E (0.49) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1797360 0.88 KDM4E (0.49) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1793690 0.86 HTR1B (0.50) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1794150 0.86 ESR1 (0.41) L3MBTL1KDM4EALDH1A1KMT2AXDH
SCHEMBL1795005 0.85 HTR1B (0.46) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1469701 0.85 KDM4E (0.60) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1797250 0.85 ESR1 (0.44) HTR1BKMT2AHTR1D

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 34/4885L3MBTL1 2176/4885KDM4E 2818/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HTR1B 42/4885L3MBTL1 1967/4885KDM4E 2402/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 HTR1B 39/4885L3MBTL1 2106/4885KDM4E 2270/4885

“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.