SCHEMBL1798443

SCHEMBL1798443

CCCN(CCC)CCOc1ccc2c(c1)[nH]c1cc(OCCN(CCC)CCC)ccc12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.50
MAPT P10636 1/20 0.43
CHRNA7 P36544 1/20 0.43
KMT2A Q03164 1/20 0.43
DYRK1A Q13627 1/20 0.43
ALK Q9UM73 3/20 0.42
PARP1 P09874 1/20 0.42
DRD3 P35462 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
Hydrochloric Acid SCHEMBL31070033 0.98 MAOA (0.49) MAOAMAPTCHRNA7KMT2ADYRK1A
SCHEMBL1796400 0.94 MAOA (0.46) MAOAMAPTKMT2ADYRK1APARP1
SCHEMBL1793136 0.92 MAOA (0.51) MAOADYRK1APARP1DRD3
SCHEMBL1797234 0.91 DRD3 (0.49) MAOAMAPTCHRNA7KMT2AALK
SCHEMBL1794224 0.89 MAPT (0.55) MAOAMAPTCHRNA7KMT2AALK
SCHEMBL1793258 0.88 PARP1 (0.47) MAOAMAPTCHRNA7KMT2AALK
Hydrochloric Acid SCHEMBL31070044 0.88 MAPT (0.54) MAOAMAPTCHRNA7KMT2AALK
SCHEMBL1797716 0.88 PARP1 (0.48) MAPTCHRNA7KMT2APARP1
SCHEMBL1793207 0.87 MAOA (0.47) MAOAMAPTKMT2ADRD3
SCHEMBL1794530 0.87 KDM4E (0.47) MAPTCHRNA7KMT2AALKPARP1

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 MAOA 212/4885MAPT 3330/4885CHRNA7 8/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 MAOA 132/4885MAPT 3318/4885CHRNA7 5/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 MAOA 176/4885MAPT 2875/4885CHRNA7 6/4885

“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.