SCHEMBL447632

SCHEMBL447632

Nc1cc(CCCN2CCOCC2)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
POLB P06746 1/20 0.49
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
CTSK P43235 1/20 0.42
KCNH2 Q12809 1/20 0.42
TACR1 P25103 2/20 0.42
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 2/20 0.40
HTR1A P08908 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
MELK Q14680 1/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
CCR2 P41597 1/20 0.39
KEAP1 Q14145 1/20 0.39

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
SCHEMBL445944 0.86 SIGMAR1 (0.48) SIGMAR1CTSKKCNH2HTR1ACCR2
SCHEMBL2965759 0.85 SIGMAR1 (0.44) SIGMAR1POLBCTSKKCNH2RAB9A
SCHEMBL428020 0.84 SIGMAR1 (0.53) SIGMAR1POLBCTSKKCNH2TACR1
SCHEMBL446369 0.83 HIF1A (0.52) TACR1HIF1AEPAS1KDM4EALDH1A1
SCHEMBL11889621 0.81 EPHX2 (0.46) SIGMAR1POLBMAPK14TACR1EPHX2
SCHEMBL445308 0.76 EPHX2 (0.51) SIGMAR1KMT2AEPHX2TRPV4ALDH1A1
SCHEMBL3542746 0.75 KDM4E (0.48) MAPK14RAB9AEPHX2KDM4EALDH1A1
SCHEMBL29968324 0.75 KDM4E (0.48) MAPK14RAB9AEPHX2KDM4EALDH1A1
SCHEMBL3211606 0.74 SIGMAR1 (0.69) SIGMAR1POLBMAPK14HTTKMT2A
SCHEMBL2793246 0.73 TAAR1 (0.41) TACR1

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 66 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
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 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 (7 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 SIGMAR1 1627/4885POLB 687/4885MAPK13 3390/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO SIGMAR1 2111/4885POLB 648/4885MAPK13 3323/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO SIGMAR1 1841/4885POLB 655/4885MAPK13 3190/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SIGMAR1 2397/4885POLB 1312/4885MAPK13 2785/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SIGMAR1 1803/4885POLB 591/4885MAPK13 2796/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SIGMAR1 2397/4885POLB 1312/4885MAPK13 2785/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SIGMAR1 1803/4885POLB 591/4885MAPK13 2796/4885

“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.