SCHEMBL1799900

SCHEMBL1799900

CCNCCCOc1ccc2c(c1)c(=O)c1ccc(OCCCNCC)cc1n2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.38
MAOB P27338 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 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
SCHEMBL1793054 0.96 L3MBTL1 (0.40) SLC6A4HRH3L3MBTL1LMNAMAPT
SCHEMBL1796708 0.96 SLC6A4 (0.42) SLC6A4HRH3L3MBTL1ATMMAOB
SCHEMBL1796618 0.95 SLC6A4 (0.42) SLC6A4HRH3L3MBTL1LMNAMAPT
SCHEMBL1794693 0.93 KMT2A (0.40) L3MBTL1LMNAMAPTATMHPGD
SCHEMBL1796562 0.92 L3MBTL1 (0.42) SLC6A4HRH3L3MBTL1ATMMAOB
SCHEMBL1796689 0.91 MAPT (0.42) SLC6A4HRH3L3MBTL1LMNAMAPT
SCHEMBL1794258 0.90 KMT2A (0.43) SLC6A4HRH3L3MBTL1LMNAMAPT
SCHEMBL1799793 0.89 GABRA1 (0.39) L3MBTL1LMNAMAPTATMHPGD
SCHEMBL1795684 0.89 L3MBTL1 (0.41) L3MBTL1LMNAMAPTATMMAOB
SCHEMBL1796060 0.88 SLC6A4 (0.45) SLC6A4HRH3POLBGAACYP1A2

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 SLC6A4 402/4885HRH3 161/4885L3MBTL1 2176/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 SLC6A4 489/4885HRH3 321/4885L3MBTL1 1967/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 SLC6A4 338/4885HRH3 199/4885L3MBTL1 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.