SCHEMBL445568

SCHEMBL445568

CC(C)(C)OC(=O)N1CC(COc2cc(N)ccc2C(F)(F)C(F)(F)F)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.43
FEN1 P39748 4/20 0.43
SCN9A Q15858 1/20 0.42
NR1H2 P55055 2/20 0.42
RBP4 P02753 2/20 0.41
NAMPT P43490 1/20 0.39
JAK3 P52333 1/20 0.39
LIPE Q05469 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
RORC P51449 1/20 0.39
GPR119 Q8TDV5 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
SCHEMBL448665 0.89 RBP4 (0.48) ALOX5APFEN1SCN9ANR1H2RBP4
SCHEMBL3154965 0.85 ALDH1A1 (0.44) ALOX5APFEN1SCN9ARBP4NAMPT
SCHEMBL4102433 0.83 RBP4 (0.46) ALOX5APFEN1SCN9ANR1H2RBP4
SCHEMBL447381 0.81 RBP4 (0.53) ALOX5APFEN1SCN9ANR1H2RBP4
SCHEMBL447304 0.80 ALOX5AP (0.47) ALOX5APFEN1NR1H2GPR119
SCHEMBL447303 0.80 ALOX5AP (0.47) ALOX5APFEN1NR1H2GPR119
SCHEMBL449546 0.80 ALOX5AP (0.47) ALOX5APFEN1NR1H2GPR119
SCHEMBL27632890 0.78 NR1H2 (0.41) ALOX5APFEN1SCN9ANR1H2RBP4
SCHEMBL19462274 0.76 PDE4B (0.52) ALOX5APFEN1SCN9ANR1H2RBP4
SCHEMBL19462318 0.76 PDE4B (0.52) ALOX5APFEN1SCN9ANR1H2RBP4

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 32 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
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AMGEN INC. 2004-05-06 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALOX5AP 562/4885FEN1 1651/4885SCN9A 4184/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC ALOX5AP 109/4885FEN1 833/4885SCN9A 3189/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALOX5AP 562/4885FEN1 1651/4885SCN9A 4184/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ALOX5AP 94/4885FEN1 612/4885SCN9A 4018/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ALOX5AP 117/4885FEN1 643/4885SCN9A 3702/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALOX5AP 562/4885FEN1 1651/4885SCN9A 4184/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ALOX5AP 607/4885FEN1 1004/4885SCN9A 3997/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 ALOX5AP 85/4885FEN1 3243/4885SCN9A 3806/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALOX5AP 562/4885FEN1 1651/4885SCN9A 4184/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ALOX5AP 607/4885FEN1 1004/4885SCN9A 3997/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ALOX5AP 117/4885FEN1 643/4885SCN9A 3702/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 ALOX5AP 887/4885FEN1 2050/4885SCN9A 3903/4885

“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.