SCHEMBL448150

SCHEMBL448150

NCc1ccnc(OCCN2CCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.51
LOX P28300 3/20 0.51
LTA4H P09960 5/20 0.49
TLR7 Q9NYK1 1/20 0.48
PTGS2 P35354 2/20 0.47
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL29104571 0.94 LOXL2 (0.54) LOXL2LOXLTA4HTLR7PTGS2
SCHEMBL2143957 0.82 LTA4H (0.51) LTA4HPTGS2CHRNB2CHRNA4KDM4E
SCHEMBL427011 0.79 SMN1; SMN2 (0.56) LTA4HPTGS2CHRNB2CHRNA4KDM4E
SCHEMBL15716661 0.79 LTA4H (0.51) LTA4HPTGS2CHRNB2CHRNA4PSMB1
SCHEMBL11059721 0.78 HRH3 (0.47) LOXL2LOXTLR7HRH3PRMT6
SCHEMBL14426350 0.78 SMN1; SMN2 (0.58) LTA4HPTGS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL8920047 0.77 HRH3 (0.49) LOXL2LOXTLR7HRH3PRMT6
SCHEMBL8918275 0.76 HRH3 (0.48) LOXL2LOXTLR7HRH3PRMT6
SCHEMBL30931700 0.76 LOXL2 (0.62) LOXL2LOX
SCHEMBL18133481 0.75 HTT (0.59) LTA4HPTGS2PSMB1PSMB5KDM4E

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 44 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
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
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
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO 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-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP 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-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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC LOXL2 1852/4885LOX 803/4885LTA4H 500/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO LOXL2 1590/4885LOX 623/4885LTA4H 339/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LOXL2 1247/4885LOX 509/4885LTA4H 417/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR LOXL2 1225/4885LOX 396/4885LTA4H 436/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR LOXL2 1225/4885LOX 396/4885LTA4H 436/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 LOXL2 1973/4885LOX 382/4885LTA4H 1087/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LOXL2 1247/4885LOX 509/4885LTA4H 417/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 LOXL2 1563/4885LOX 729/4885LTA4H 1244/4885

“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.