SCHEMBL1795489

SCHEMBL1795489

CN(C)CCOc1ccc2c(c1)c(=O)c1ccc(OCCN(C)C)cc1n2C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MCHR1 Q99705 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TOP2A P11388 1/20 0.41
SYK P43405 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
PARP1 P09874 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL11389969 0.95 HPGD (0.51) HPGDFGFR1SRCMEN1KMT2A
SCHEMBL1798361 0.95 HPGD (0.59) HPGDFGFR1SRCSIGMAR1MCHR1
SCHEMBL1794923 0.95 HPGD (0.50) HPGDFGFR1SRCSIGMAR1POLB
SCHEMBL1795805 0.94 HPGD (0.48) HPGDFGFR1SRCSIGMAR1KDM4E
SCHEMBL11380244 0.92 HPGD (0.50) HPGDFGFR1SRCSIGMAR1KDM4E
SCHEMBL11377826 0.91 ATM (0.51) HPGDFGFR1SRCSIGMAR1POLB
SCHEMBL11385638 0.91 HPGD (0.54) HPGDFGFR1SRCSIGMAR1MCHR1
SCHEMBL1795529 0.89 HPGD (0.56) HPGDFGFR1SRCSIGMAR1POLB
SCHEMBL1798018 0.88 HPGD (0.52) HPGDFGFR1SRCSIGMAR1KDM4E
SCHEMBL1793673 0.88 KDM4E (0.47) HPGDFGFR1SRCSIGMAR1KDM4E

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 9 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
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 HPGD 2230/4885FGFR1 2695/4885SRC 2436/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HPGD 2086/4885FGFR1 4000/4885SRC 2153/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 HPGD 2140/4885FGFR1 3030/4885SRC 1757/4885

“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.