SCHEMBL1796708

SCHEMBL1796708

CCNCCCOc1ccc2c(=O)c3ccc(OCCCNCC)cc3n(C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 2/20 0.40
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
KCNA3 P22001 1/20 0.39
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL1799900 0.96 SLC6A4 (0.40) SLC6A4HRH3L3MBTL1ATMPOLB
SCHEMBL1796562 0.96 L3MBTL1 (0.42) SLC6A4HRH3L3MBTL1ATMPOLB
SCHEMBL1793054 0.92 L3MBTL1 (0.40) SLC6A4HRH3L3MBTL1ATMPOLB
SCHEMBL1796060 0.92 SLC6A4 (0.45) SLC6A4HRH3POLBGAACYP1A2
SCHEMBL1796082 0.91 KMT2A (0.43) L3MBTL1ATMPOLBGAACYP1A2
SCHEMBL1796618 0.90 SLC6A4 (0.42) SLC6A4HRH3L3MBTL1CYP1A2CYP2D6
SCHEMBL1794693 0.89 KMT2A (0.40) L3MBTL1ATMPOLBGAACYP1A2
SCHEMBL1794258 0.88 KMT2A (0.43) SLC6A4HRH3L3MBTL1POLBGAA
SCHEMBL1792273 0.87 HTR1B (0.41) SLC6A4HRH3L3MBTL1POLBGAA
SCHEMBL1794966 0.86 POLB (0.39) L3MBTL1ATMPOLBGAADRD2

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.