SCHEMBL445278

SCHEMBL445278

CC(C)N1CC(COc2cc(CN)ccn2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 13/20 0.50
LOX P28300 8/20 0.50
LOXL3 P58215 3/20 0.36
ACACB O00763 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
SLC6A4 P31645 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
OPRM1 P35372 1/20 0.33

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
SCHEMBL445279 0.79 ACACB (0.38) ACACBTLR9TLR8TLR7SLC6A4
SCHEMBL30578250 0.77 LOXL2 (0.51) LOXL2LOXLOXL3SLC6A4HRH3
SCHEMBL429671 0.77 LOXL2 (0.51) LOXL2LOXLOXL3SLC6A4HRH3
SCHEMBL30931670 0.77 LOXL2 (0.50) LOXL2LOXLOXL3ACACBCYP1A2
SCHEMBL20070271 0.76 DRD4 (0.40) TLR9TLR8TLR7HRH3
SCHEMBL30939176 0.74 LOXL2 (0.52) LOXL2LOXLOXL3TLR7
SCHEMBL4935143 0.74 LOXL2 (0.52) LOXL2LOXLOXL3TLR7
SCHEMBL24493356 0.73 LOXL2 (0.49) LOXL2LOXLOXL3CYP1A2CYP3A4
SCHEMBL29649949 0.73 LOXL2 (0.49) LOXL2LOXLOXL3CYP1A2CYP3A4
SCHEMBL4936674 0.72 LOXL2 (0.50) LOXL2LOXACACBTLR7

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 17 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-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP 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
EP-2311808-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP disclosed
EP-1358184-B1 N-(3,3-Dimethylindolin-6-yl){2-[(4-pyridylmethyl)amino}(3-pyridyl)}carboxamide and pharmaceutical compositions thereof. AMGEN INC (US) 2007-05-02 EP disclosed
CN-1313464-C Substituted alkylamine derivatives and methods of use AMGEN INC (US) 2007-05-02 CN disclosed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 US disclosed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 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 (6 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC LOXL2 1852/4885LOX 803/4885LOXL3 1500/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO LOXL2 1590/4885LOX 623/4885LOXL3 1346/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LOXL2 1247/4885LOX 509/4885LOXL3 1156/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC LOXL2 1852/4885LOX 803/4885LOXL3 1500/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LOXL2 1247/4885LOX 509/4885LOXL3 1156/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO LOXL2 1590/4885LOX 623/4885LOXL3 1346/4885

“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.