SCHEMBL448151

SCHEMBL448151

CNc1ccnc(OCCN2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.50
EPHB4 P54760 1/20 0.50
LTA4H P09960 6/20 0.46
PTGS2 P35354 2/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2143957 0.81 LTA4H (0.51) SRCEPHB4LTA4HPTGS2CHRNB2
SCHEMBL427011 0.81 SMN1; SMN2 (0.56) LTA4HPTGS2CHRNB2CHRNA4SIGMAR1
SCHEMBL14426350 0.79 SMN1; SMN2 (0.58) LTA4HPTGS2SIGMAR1SMN1; SMN2TDP1
SCHEMBL15716661 0.78 LTA4H (0.51) LTA4HPTGS2CHRNB2CHRNA4PSMB1
SCHEMBL18133481 0.77 HTT (0.59) LTA4HPTGS2PSMB1PSMB5SIGMAR1
SCHEMBL450035 0.76 CTSS (0.41) SRC
SCHEMBL448150 0.75 LOXL2 (0.51) LTA4HPTGS2CHRNB2CHRNA4PSMB1
SCHEMBL450340 0.75 ELOVL1 (0.34) SRCEPHB4
SCHEMBL13489991 0.74 KDM4E (0.62) LTA4HPSMB1PSMB5PSMB2SMN1; SMN2
SCHEMBL446432 0.74 SCN7A (0.52) LTA4HPTGS2CHRNB2CHRNA4PSMB1

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-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF 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 SRC 2012/4885EPHB4 1078/4885LTA4H 500/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO SRC 2436/4885EPHB4 1258/4885LTA4H 339/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO SRC 1859/4885EPHB4 1274/4885LTA4H 417/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SRC 1066/4885EPHB4 925/4885LTA4H 436/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SRC 1066/4885EPHB4 925/4885LTA4H 436/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SRC 1251/4885EPHB4 657/4885LTA4H 1087/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO SRC 1859/4885EPHB4 1274/4885LTA4H 417/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 SRC 1111/4885EPHB4 851/4885LTA4H 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.