SCHEMBL447185

SCHEMBL447185

CC(C)(C)OC(=O)NCCOc1cc([N+](=O)[O-])ccc1C(F)(F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
PDK2 Q15119 1/20 0.42
BRD4 O60885 1/20 0.41
IDO1 P14902 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 6/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN9A Q15858 1/20 0.39
CYP19A1 P11511 1/20 0.39
POLB P06746 1/20 0.39
CRHBP P24387 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
SCHEMBL30421933 0.86 RAB9A (0.47) RAB9ACA12CA1CA2CA9
SCHEMBL2060325 0.85 CA12 (0.48) RAB9ACA12CA1CA2CA9
SCHEMBL447122 0.84 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL7447967 0.84 MEN1 (0.52) RAB9ACA12CA1CA2CA9
SCHEMBL1667033 0.84 MEN1 (0.52) RAB9ACA12CA1CA2CA9
SCHEMBL31513087 0.84 CA12 (0.49) RAB9ACA12CA1CA2CA9
SCHEMBL29571434 0.83 RAB9A (0.49) RAB9ACA12CA1CA2CA9
SCHEMBL2061973 0.82 MEN1 (0.48) RAB9ACA12CA1CA2CA9
SCHEMBL4014293 0.81 RAB9A (0.68) RAB9ACA12CA1CA2CA9
SCHEMBL360813 0.81 RAB9A (0.60) RAB9ACA12CA1CA2CA9

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 46 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
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 RAB9A 3627/4885CA12 3662/4885CA1 4699/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO RAB9A 3440/4885CA12 4032/4885CA1 4818/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RAB9A 2797/4885CA12 4169/4885CA1 4831/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 RAB9A 2278/4885CA12 2520/4885CA1 3642/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RAB9A 2797/4885CA12 4169/4885CA1 4831/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 RAB9A 2278/4885CA12 2520/4885CA1 3642/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO RAB9A 3440/4885CA12 4032/4885CA1 4818/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 RAB9A 2278/4885CA12 3349/4885CA1 4469/4885

“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.