SCHEMBL1795005

SCHEMBL1795005

CNCCCOc1ccc2c(c1)sc1ccc(OCCCNC)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 5/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.40
NSD2 O96028 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1D P28221 1/20 0.40
LMNA P02545 1/20 0.40
PDK2 Q15119 1/20 0.39
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A4 P31645 1/20 0.37
HRH1 P35367 1/20 0.37
L3MBTL4 Q8NA19 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
ADRB2 P07550 1/20 0.35
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35

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
SCHEMBL1796688 0.95 HTR1B (0.45) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1798037 0.94 HTR1B (0.51) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1795903 0.94 HTR1B (0.51) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1793690 0.89 HTR1B (0.50) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1794972 0.89 HTR1B (0.50) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1793651 0.89 KDM4E (0.48) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1796941 0.86 CYP1A2 (0.40) HTR1BHTR1DKMT2ASLC6A4ADRB2
SCHEMBL1797360 0.85 KDM4E (0.49) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1798618 0.85 HTR1B (0.46) HTR1BL3MBTL1KDM4EPOLBALDH1A1
SCHEMBL1798001 0.85 KMT2A (0.44) HTR1BHTR1DKMT2AADRB2

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.