SCHEMBL1797429

SCHEMBL1797429

CCCNCCCOc1ccc2c(c1)C(=O)c1cc(OCCCNCCC)ccc1-2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
KMT2A Q03164 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.62
RAB9A P51151 1/20 0.62
CHRNA7 P36544 1/20 0.56
POLB P06746 1/20 0.55
DNMT1 P26358 1/20 0.55
RAD52 P43351 1/20 0.55
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
PTPN1 P18031 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1794314 0.97 MAPT (0.59) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL1795330 0.95 MAPT (0.60) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL1792515 0.94 KMT2A (0.55) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL5074760 0.93 KMT2A (0.55) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL1796640 0.93 MAPT (0.57) MAPTKMT2AL3MBTL1MEN1NPC1
Hydrochloric Acid SCHEMBL11838535 0.90 KMT2A (0.62) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL1797456 0.89 MAPT (0.52) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL1795384 0.89 MAPT (0.60) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL5076182 0.87 KMT2A (0.58) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL1797929 0.87 MAPT (0.57) MAPTKMT2AL3MBTL1MEN1NPC1

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 MAPT 3330/4885KMT2A 2287/4885L3MBTL1 2176/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 MAPT 3318/4885KMT2A 2285/4885L3MBTL1 1967/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 MAPT 2875/4885KMT2A 1700/4885L3MBTL1 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.