SCHEMBL1796162

SCHEMBL1796162

CCN(CC)CCOc1ccc2c(=O)c3cc(OCCN(CC)CC)ccc3[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
MAPT P10636 1/20 0.52
CHRNA7 P36544 1/20 0.52
KMT2A Q03164 1/20 0.52
TERT O14746 2/20 0.52
SIGMAR1 Q99720 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALK Q9UM73 2/20 0.48
XDH P47989 2/20 0.48
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL1799169 0.95 MAPT (0.57) PARP1MAPTCHRNA7KMT2ATERT
SCHEMBL1793678 0.95 PARP1 (0.60) PARP1MAPTCHRNA7KMT2ASIGMAR1
SCHEMBL1794170 0.94 XDH (0.56) PARP1TERTSIGMAR1KDM4EALDH1A1
SCHEMBL3611895 0.92 ALK (0.59) PARP1MAPTCHRNA7KMT2ATERT
SCHEMBL1794530 0.91 KDM4E (0.47) PARP1MAPTCHRNA7KMT2ATERT
SCHEMBL3621488 0.91 CTSV (0.60) PARP1MAPTCHRNA7KMT2ATERT
SCHEMBL1796359 0.89 PARP1 (0.54) PARP1MAPTCHRNA7KMT2ASIGMAR1
SCHEMBL1797461 0.88 XDH (0.57) PARP1MAPTCHRNA7KMT2ASIGMAR1
SCHEMBL1793064 0.88 XDH (0.60) MAPTCHRNA7KMT2ATERTSIGMAR1
SCHEMBL13438412 0.88 ALK (0.62) PARP1MAPTCHRNA7KMT2ATERT

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 PARP1 1668/4885MAPT 3330/4885CHRNA7 8/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 PARP1 2033/4885MAPT 3318/4885CHRNA7 5/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 PARP1 2735/4885MAPT 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.