SCHEMBL1798101

SCHEMBL1798101

CN(C)CCOc1ccc2c(c1)c1cc(OCCN(C)C)ccc1n2C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
FGFR1 P11362 3/20 0.53
SRC P12931 3/20 0.53
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
LTA4H P09960 2/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR6 P50406 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL1795529 0.94 HPGD (0.56) HPGDFGFR1SRCCHRNB2CHRNA4
SCHEMBL1795141 0.92 FGFR1 (0.54) HPGDFGFR1SRCHRH3KDM4E
SCHEMBL1798361 0.91 HPGD (0.59) HPGDFGFR1SRCCHRNB2CHRNA4
SCHEMBL1794468 0.87 HPGD (0.51) HPGDFGFR1SRCCHRNB2CHRNA4
SCHEMBL1796844 0.86 FGFR1 (0.50) HPGDFGFR1SRCHRH3KDM4E
SCHEMBL1795489 0.86 HPGD (0.55) HPGDFGFR1SRCCHRNB2CHRNA4
SCHEMBL11385638 0.85 HPGD (0.54) HPGDFGFR1SRCLTA4HKDM4E
SCHEMBL1795181 0.84 POLB (0.54) HPGDKDM4EALDH1A1KMT2AMAPT
SCHEMBL24277264 0.83 HPGD (0.47) HPGDFGFR1SRCCHRNB2CHRNA4
SCHEMBL29445067 0.83 HPGD (0.47) HPGDFGFR1SRCCHRNB2CHRNA4

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 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.