SCHEMBL1793418

SCHEMBL1793418

CCCN(CCC)CCCOc1ccc2c(c1)-c1cc(OCCCN(CCC)CCC)ccc1C2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MAPT P10636 1/20 0.42
CHRNA7 P36544 1/20 0.42
KMT2A Q03164 1/20 0.42
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41

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
SCHEMBL1794365 0.96 MAPT (0.46) KDM4EMAOAMAOBBCHEACHE
SCHEMBL1798445 0.92 MAPT (0.50) BCHEACHEMAPTCHRNA7KMT2A
SCHEMBL1794947 0.91 MAOA (0.47) KDM4EMAOAMAOBBCHEACHE
SCHEMBL1792831 0.89 KDM4E (0.59) KDM4EMAOAMAOBBCHEACHE
SCHEMBL1794583 0.88 MAPT (0.54) MAOAMAOBBCHEACHEMAPT
SCHEMBL4897451 0.85 MEN1 (0.49) MAPTKMT2A
SCHEMBL1800264 0.85 MAPT (0.57) KDM4EMAOAMAOBBCHEACHE
SCHEMBL11839765 0.85 HRH3 (0.47) KDM4EMAOAMAOBBCHEACHE
Hydrochloric Acid SCHEMBL11840019 0.84 HRH3 (0.46) KDM4EMAOAMAOBBCHEACHE
SCHEMBL1793354 0.83 MAPT (0.54) MAOAMAOBBCHEACHEMAPT

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 KDM4E 2818/4885MAOA 212/4885MAOB 139/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 KDM4E 2402/4885MAOA 132/4885MAOB 99/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 KDM4E 2270/4885MAOA 176/4885MAOB 133/4885

“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.