SCHEMBL445290

SCHEMBL445290

CN1CCC(Oc2cc(CN)ccn2)CC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 8/20 0.70
LOX P28300 5/20 0.70
LRRK2 Q5S007 1/20 0.41
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
TDO2 P48775 1/20 0.38
LOXL3 P58215 1/20 0.38
PIK3CD O00329 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL17308301 0.87 LOX (0.52) LOXL2LOXLRRK2WNT1GSK3B
SCHEMBL25260001 0.84 LOXL2 (0.91) LOXL2LOXIKBKETBK1LOXL3
SCHEMBL2600007 0.84 LOXL2 (0.97) LOXL2LOXIKBKETBK1LOXL3
SCHEMBL18049156 0.82 LOXL2 (1.00) LOXL2LOXLRRK2IKBKETBK1
SCHEMBL21311492 0.82 LOX (0.46) LOXL2LOXLRRK2WNT1GSK3B
SCHEMBL429671 0.82 LOXL2 (0.51) LOXL2LOXLOXL3HRH3
SCHEMBL30578250 0.82 LOXL2 (0.51) LOXL2LOXLOXL3HRH3
SCHEMBL450034 0.80 LOXL2 (0.49) LOXL2LOXLOXL3
SCHEMBL4932984 0.80 LOXL2 (0.74) LOXL2LOXLRRK2IKBKETBK1
SCHEMBL427767 0.80 LRRK2 (0.48) LOXL2LOXLRRK2WNT1GSK3B

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 51 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-7723331-B2 Thienopyrimidine compounds and uses thereof ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
EP-2121703-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM 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
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (8 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-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO LOXL2 1590/4885LOX 623/4885LRRK2 4456/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LOXL2 1247/4885LOX 509/4885LRRK2 4307/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR LOXL2 1225/4885LOX 396/4885LRRK2 2644/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 LOXL2 1973/4885LOX 382/4885LRRK2 1899/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR LOXL2 1225/4885LOX 396/4885LRRK2 2644/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 LOXL2 1973/4885LOX 382/4885LRRK2 1899/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LOXL2 1247/4885LOX 509/4885LRRK2 4307/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 LOXL2 1563/4885LOX 729/4885LRRK2 1475/4885

“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.