SCHEMBL450034

SCHEMBL450034

CN1CCC(CCOc2cc(CN)ccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 11/20 0.49
LOX P28300 7/20 0.49
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ACACB O00763 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
NMT1 P30419 1/20 0.36
NCF1 P14598 1/20 0.36
LOXL3 P58215 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
SCHEMBL30578250 0.87 LOXL2 (0.51) LOXL2LOXNCF1LOXL3
SCHEMBL429671 0.87 LOXL2 (0.51) LOXL2LOXNCF1LOXL3
SCHEMBL426634 0.83 CTSL (0.41) CTSLCTSSCTSKACACBBCHE
SCHEMBL445290 0.80 LOXL2 (0.70) LOXL2LOXLOXL3
SCHEMBL450035 0.80 CTSS (0.41) CTSLCTSSCTSKACACBBCHE
SCHEMBL447842 0.79 CTSS (0.48) CTSLCTSSCTSK
SCHEMBL26157152 0.77 TLR9 (0.39) CTSLCTSSCTSKACACBBCHE
SCHEMBL29104571 0.76 LOXL2 (0.54) LOXL2LOXLOXL3
SCHEMBL16453528 0.76 NOS3 (0.42) LOXL2LOXACACBBCHEACHE
SCHEMBL426645 0.76 HRH4 (0.44) CTSLCTSSCTSKACHEHRH4

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 45 patents — showing the first 20. 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-8247430-B2 Substituted aryl-amine derivatives and methods of use 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-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-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
WO-2004005279-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-15 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 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 (9 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 803/4885CTSL 3165/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO LOXL2 1590/4885LOX 623/4885CTSL 3349/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LOXL2 1247/4885LOX 509/4885CTSL 3180/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR LOXL2 1225/4885LOX 396/4885CTSL 1499/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 LOXL2 1973/4885LOX 382/4885CTSL 2888/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR LOXL2 1225/4885LOX 396/4885CTSL 1499/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 LOXL2 1973/4885LOX 382/4885CTSL 2888/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LOXL2 1247/4885LOX 509/4885CTSL 3180/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 LOXL2 1563/4885LOX 729/4885CTSL 2388/4885

“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.