SCHEMBL429686

SCHEMBL429686

CN(C)CCOCCOc1cc(CN)ccn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 12/20 0.54
LOX P28300 7/20 0.54
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
LOXL3 P58215 1/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL447701 0.86 LOXL2 (0.54) LOXL2LOXLOXL3
SCHEMBL14546673 0.84 ADRB2 (0.42) ADRB2ADRB1KDM4EALDH1A1TDP1
SCHEMBL15829859 0.77 NOS3 (0.44) LOXL2LOXKEAP1NFE2L2KDM4E
SCHEMBL427405 0.76 ADRB2 (0.39) ADRB2ADRB1KDM4EALDH1A1TDP1
SCHEMBL4934716 0.75 LOXL2 (0.57) LOXL2LOXLOXL3
SCHEMBL6664243 0.75 LOXL2 (0.59) LOXL2LOXLOXL3
SCHEMBL30931700 0.75 LOXL2 (0.62) LOXL2LOXLOXL3
SCHEMBL4934891 0.74 LOXL2 (0.67) LOXL2LOXLOXL3
SCHEMBL940535 0.73 HTR7 (0.46) KEAP1NFE2L2
SCHEMBL4933505 0.73 LOXL2 (0.70) LOXL2LOXLOXL3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO 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-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LOXL2 1247/4885LOX 509/4885KEAP1 884/4885
US-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS LOXL2 1417/4885LOX 391/4885KEAP1 168/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LOXL2 1247/4885LOX 509/4885KEAP1 884/4885

“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.