SCHEMBL1795684

SCHEMBL1795684

CNCCCOc1ccc2c(c1)c(=O)c1ccc(OCCCNC)cc1n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.41
HTR1B P28222 1/20 0.41
KDM4E B2RXH2 5/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.39
NSD2 O96028 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 2/20 0.39
HASPIN Q8TF76 1/20 0.38
MAOB P27338 1/20 0.37
RAD52 P43351 1/20 0.37
KCNA3 P22001 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 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
SCHEMBL1792684 0.96 LMNA (0.42) L3MBTL1HTR1BKDM4EPOLBALDH1A1
SCHEMBL1795463 0.95 HTR1B (0.45) L3MBTL1HTR1BKDM4EPOLBALDH1A1
SCHEMBL1795726 0.95 HTR1B (0.45) L3MBTL1HTR1BKDM4EPOLBALDH1A1
SCHEMBL1797158 0.91 KDM4E (0.46) L3MBTL1HTR1BKDM4EPOLBALDH1A1
SCHEMBL1795488 0.91 KDM4E (0.46) L3MBTL1HTR1BKDM4EPOLBALDH1A1
SCHEMBL1794472 0.89 HTR1B (0.45) L3MBTL1HTR1BKDM4EPOLBALDH1A1
SCHEMBL1799900 0.89 SLC6A4 (0.40) L3MBTL1POLBATMGAALMNA
SCHEMBL1793054 0.87 L3MBTL1 (0.40) L3MBTL1HTR1BPOLBATMNPC1
SCHEMBL1794693 0.86 KMT2A (0.40) L3MBTL1HTR1BPOLBATMGAA
SCHEMBL1796982 0.86 HTR1B (0.50) L3MBTL1HTR1BKDM4EPOLBALDH1A1

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